 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer04_B3LYPDBJ-augccpVDZr.in
 Output=30_ibuprofen_conformer04_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-29853.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29871.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer04_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer04_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.634600000000     -0.289354000000     -1.230513000000
  C                                                 1.477234000000     -0.735999000000     -0.213732000000
  C                                                -0.739449000000     -0.216152000000     -1.047711000000
  C                                                -1.314029000000     -0.589385000000      0.165609000000
  C                                                -0.477653000000     -1.033716000000      1.186048000000
  C                                                 0.895358000000     -1.109311000000      0.997103000000
  C                                                 2.970726000000     -0.778602000000     -0.392123000000
  C                                                 3.716610000000      0.371103000000      0.313667000000
  C                                                 3.299110000000      1.735765000000     -0.230808000000
  C                                                 5.226988000000      0.171727000000      0.198605000000
  C                                                -2.819930000000     -0.538917000000      0.366414000000
  C                                                -3.298609000000      0.879642000000      0.123443000000
  O                                                -3.719796000000      1.311520000000     -0.918273000000
  O                                                -3.170806000000      1.648102000000      1.229132000000
  H                                                 1.061897000000      0.009379000000     -2.180173000000
  H                                                -1.369308000000      0.143045000000     -1.851768000000
  H                                                -0.905706000000     -1.326876000000      2.137119000000
  H                                                 1.525155000000     -1.464620000000      1.804458000000
  H                                                 3.213870000000     -0.750950000000     -1.458443000000
  H                                                 3.354890000000     -1.727657000000     -0.007445000000
  H                                                 3.446407000000      0.332999000000      1.374915000000
  H                                                 2.227360000000      1.901968000000     -0.119193000000
  H                                                 3.541664000000      1.816780000000     -1.294470000000
  H                                                 3.822320000000      2.539192000000      0.291263000000
  H                                                 5.541448000000      0.194608000000     -0.848580000000
  H                                                 5.535582000000     -0.788131000000      0.618372000000
  H                                                 5.769492000000      0.959785000000      0.724559000000
  H                                                -3.021671000000     -0.770261000000      1.413061000000
  C                                                -3.561205000000     -1.527762000000     -0.535197000000
  H                                                -3.444471000000      2.545855000000      0.983186000000
  H                                                -4.634564000000     -1.503266000000     -0.342117000000
  H                                                -3.194719000000     -2.537711000000     -0.351766000000
  H                                                -3.403343000000     -1.285337000000     -1.584678000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394047   0.000000
     3  C    1.388087   2.424757   0.000000
     4  C    2.415850   2.820735   1.393410   0.000000
     5  C    2.762417   2.422726   2.393037   1.392211   0.000000
     6  C    2.388011   1.394297   2.766151   2.417250   1.388011
     7  C    2.529772   1.504712   3.809402   4.325043   3.800924
     8  C    3.509912   2.553161   4.696241   5.123650   4.508482
     9  C    3.492869   3.070691   4.559306   5.181170   4.893000
    10  C    4.831667   3.880031   6.107546   6.585232   5.913634
    11  C    3.813953   4.340625   2.536203   1.520068   2.530393
    12  C    4.320866   5.052985   3.020210   2.469489   3.570415
    13  O    4.649845   5.630083   3.351567   3.252069   4.521039
    14  O    4.927951   5.419416   3.817192   3.095973   3.800931
    15  H    1.083364   2.143591   2.139669   3.392084   3.845739
    16  H    2.142096   3.399806   1.082706   2.146933   3.377594
    17  H    3.845769   3.399123   3.377054   2.144172   1.083378
    18  H    3.374224   2.146224   3.849931   3.393056   2.139941
    19  H    2.630144   2.136688   4.010417   4.813057   4.549795
    20  H    3.311282   2.133432   4.486693   4.808785   4.073618
    21  H    3.883534   2.746670   4.867450   4.997496   4.159547
    22  H    2.928107   2.744175   3.761720   4.339284   4.199880
    23  H    3.590392   3.456378   4.745696   5.612416   5.516630
    24  H    4.525266   4.059720   5.494953   6.015469   5.661809
    25  H    4.945427   4.217451   6.297463   6.974295   6.471327
    26  H    5.261823   4.143103   6.517592   6.867435   6.044962
    27  H    5.634693   4.709517   6.847633   7.272456   6.573723
    28  H    4.537408   4.784117   3.401613   2.122474   2.567678
    29  C    4.429661   5.110391   3.153617   2.534064   3.565818
    30  H    5.438538   6.035425   4.366963   3.877750   4.653653
    31  H    5.479682   6.161108   4.162505   3.481223   4.453726
    32  H    4.526697   5.009228   3.449975   2.756927   3.465447
    33  H    4.174015   5.099147   2.920243   2.813021   4.037313
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519220   0.000000
     8  C    3.258554   1.541527   0.000000
     9  C    3.921766   2.540846   1.527436   0.000000
    10  C    4.587121   2.518492   1.527819   2.519390   0.000000
    11  C    3.811362   5.845043   6.599793   6.555418   8.079979
    12  C    4.723195   6.505393   7.036199   6.662457   8.555267
    13  O    5.552363   7.029120   7.596196   7.065241   9.087986
    14  O    4.918420   6.799689   7.064368   6.633168   8.588633
    15  H    3.372578   2.731605   3.660271   3.433010   4.799263
    16  H    3.848789   4.670749   5.532421   5.192147   6.907675
    17  H    2.142616   4.660944   5.251087   5.715534   6.604058
    18  H    1.083841   2.717584   3.224099   4.187086   4.354304
    19  H    3.396119   1.094039   2.156878   2.774546   2.765824
    20  H    2.727777   1.093739   2.153775   3.471065   2.674858
    21  H    2.954801   2.141110   1.095769   2.137240   2.140136
    22  H    3.476801   2.795092   2.179170   1.090289   3.477427
    23  H    4.562483   2.806458   2.169491   1.093971   2.788510
    24  H    4.730422   3.492848   2.170780   1.091697   2.754373
    25  H    5.166517   2.786414   2.170715   2.790141   1.093620
    26  H    4.666720   2.756751   2.178377   3.477494   1.092136
    27  H    5.302134   3.478801   2.174788   2.760011   1.091775
    28  H    3.953618   6.258401   6.922125   6.995337   8.390627
    29  C    4.731173   6.576308   7.569204   7.603104   8.981039
    30  H    5.674024   7.355151   7.513913   6.899704   9.024758
    31  H    5.703398   7.639900   8.584021   8.570116  10.017394
    32  H    4.537456   6.411615   7.527979   7.774770   8.863922
    33  H    5.017510   6.504439   7.552565   7.475486   8.932287
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516733   0.000000
    13  O    2.425757   1.203781   0.000000
    14  O    2.377067   1.352558   2.241880   0.000000
    15  H    4.674860   5.007796   5.113956   5.676667   0.000000
    16  H    2.736733   2.857663   2.785954   3.873311   2.456924
    17  H    2.724065   3.827479   4.920941   3.847806   4.929102
    18  H    4.669546   5.620505   6.529145   5.663222   4.273706
    19  H    6.307282   6.897360   7.254053   7.330934   2.393738
    20  H    6.299308   7.147320   7.753540   7.450475   3.604977
    21  H    6.406582   6.881878   7.587535   6.748204   4.292932
    22  H    5.627510   5.624976   6.029579   5.569796   3.031144
    23  H    6.984105   7.048265   7.288732   7.173163   3.193808
    24  H    7.321194   7.313679   7.736515   7.111783   4.486411
    25  H    8.480973   8.919681   9.328611   9.073748   4.676946
    26  H    8.363024   9.003852   9.614148   9.061427   5.336828
    27  H    8.726543   9.088356   9.636867   8.980941   5.612681
    28  H    1.090729   2.112342   3.202547   2.429928   5.494970
    29  C    1.529773   2.509653   2.869394   3.653954   5.142161
    30  H    3.207223   1.880611   2.283623   0.970228   6.062005
    31  H    2.173679   2.771240   3.015257   3.813467   6.173833
    32  H    2.156717   3.451799   3.925967   4.474465   5.286731
    33  H    2.168934   2.759670   2.699612   4.071445   4.687139
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276308   0.000000
    18  H    4.932595   2.457381   0.000000
    19  H    4.686091   5.498242   3.742674   0.000000
    20  H    5.405469   4.786696   2.588457   1.754776   0.000000
    21  H    5.799886   4.719855   2.665924   3.042521   2.483062
    22  H    4.362528   5.033138   3.940487   3.131256   3.802366
    23  H    5.218200   6.437195   4.943405   2.593757   3.775494
    24  H    6.106317   6.380274   4.857699   3.775807   4.302757
    25  H    6.983380   7.266024   5.091391   2.585272   3.030453
    26  H    7.392306   6.639806   4.236504   3.115267   2.455560
    27  H    7.633282   7.196000   5.005828   3.771381   3.686255
    28  H    3.771411   2.304645   4.616162   6.864975   6.602649
    29  C    3.054401   3.772705   5.599020   6.881676   6.939081
    30  H    4.256379   4.772309   6.438601   7.820740   8.091697
    31  H    3.956170   4.481306   6.523145   7.963045   7.999608
    32  H    3.573316   3.591692   5.298871   6.744424   6.608489
    33  H    2.499782   4.482375   5.984019   6.639956   6.953921
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485980   0.000000
    23  H    3.055535   1.765199   0.000000
    24  H    2.486544   1.765907   1.764992   0.000000
    25  H    3.058150   3.798719   2.613311   3.122774   0.000000
    26  H    2.488763   4.327236   3.797398   3.756773   1.765718
    27  H    2.492498   3.761160   3.126361   2.544357   1.764162
    28  H    6.561606   6.086127   7.556512   7.684473   8.909153
    29  C    7.497839   6.741186   7.887535   8.469923   9.269469
    30  H    7.248061   5.813733   7.384128   7.299661   9.467337
    31  H    8.462988   7.663636   8.875832   9.394760  10.329109
    32  H    7.438209   7.011689   8.076456   8.684887   9.166952
    33  H    7.635265   6.634107   7.611864   8.387871   9.096228
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766692   0.000000
    28  H    8.594093   8.986192   0.000000
    29  C    9.199419   9.738418   2.158846   0.000000
    30  H    9.585922   9.353054   3.370486   4.348962   0.000000
    31  H   10.240402  10.744710   2.493866   1.090862   4.423588
    32  H    8.956582   9.682357   2.503685   1.089934   5.261855
    33  H    9.219817   9.721834   3.065520   1.088623   4.612337
                   31         32         33
    31  H    0.000000
    32  H    1.772942   0.000000
    33  H    1.762769   1.769756   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3505362           0.2618989           0.2490697
 Leave Link  202 at Mon Sep 27 09:40:17 2021, MaxMem=  6442450944 cpu:               2.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       973.0890188818 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618331451 Hartrees.
 Nuclear repulsion after empirical dispersion term =      973.0271857367 Hartrees.
 Leave Link  301 at Mon Sep 27 09:40:21 2021, MaxMem=  6442450944 cpu:              19.2 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.57D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:23 2021, MaxMem=  6442450944 cpu:              13.7 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:24 2021, MaxMem=  6442450944 cpu:               5.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer04_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:27 2021, MaxMem=  6442450944 cpu:              14.8 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.841691328883    
 DIIS: error= 1.54D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.841691328883     IErMin= 1 ErrMin= 1.54D-03
 ErrMax= 1.54D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-03 BMatP= 7.04D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.54D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.222 Goal=   None    Shift=    0.000
 GapD=    0.222 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.85D-02 MaxDP=9.92D+00              OVMax= 1.47D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.45D-02    CP:  2.13D+00
 E= -656.847456596994     Delta-E=       -0.005765268111 Rises=F Damp=F
 DIIS: error= 2.54D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.847456596994     IErMin= 2 ErrMin= 2.54D-04
 ErrMax= 2.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 7.04D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.54D-03
 Coeff-Com:  0.112D-01 0.989D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.112D-01 0.989D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.95D-03 MaxDP=3.94D-01 DE=-5.77D-03 OVMax= 3.53D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.71D-04    CP:  2.16D+00  1.04D+00
 E= -656.847366603133     Delta-E=        0.000089993861 Rises=F Damp=F
 DIIS: error= 3.52D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.847456596994     IErMin= 2 ErrMin= 2.54D-04
 ErrMax= 3.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-04 BMatP= 1.13D-04
 IDIUse=3 WtCom= 3.48D-01 WtEn= 6.52D-01
 Coeff-Com: -0.778D-02 0.603D+00 0.405D+00
 Coeff-En:   0.000D+00 0.646D+00 0.354D+00
 Coeff:     -0.271D-02 0.631D+00 0.371D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.59D-04 MaxDP=1.13D-02 DE= 9.00D-05 OVMax= 2.78D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.79D-05    CP:  2.16D+00  1.04D+00  9.28D-01
 E= -656.847551323157     Delta-E=       -0.000184720024 Rises=F Damp=F
 DIIS: error= 3.68D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.847551323157     IErMin= 4 ErrMin= 3.68D-05
 ErrMax= 3.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-06 BMatP= 1.13D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.487D-02 0.259D+00 0.167D+00 0.578D+00
 Coeff:     -0.487D-02 0.259D+00 0.167D+00 0.578D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=7.49D-05 MaxDP=7.32D-03 DE=-1.85D-04 OVMax= 8.57D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.88D-05    CP:  2.17D+00  1.04D+00  9.13D-01  1.20D+00
 E= -656.847553237801     Delta-E=       -0.000001914643 Rises=F Damp=F
 DIIS: error= 2.70D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.847553237801     IErMin= 5 ErrMin= 2.70D-05
 ErrMax= 2.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-06 BMatP= 3.69D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-02 0.532D-01 0.343D-01 0.399D+00 0.516D+00
 Coeff:     -0.180D-02 0.532D-01 0.343D-01 0.399D+00 0.516D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.48D-05 MaxDP=2.64D-03 DE=-1.91D-06 OVMax= 4.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  2.17D+00  1.04D+00  9.14D-01  1.22D+00  9.65D-01
 E= -656.847554523251     Delta-E=       -0.000001285450 Rises=F Damp=F
 DIIS: error= 6.15D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.847554523251     IErMin= 6 ErrMin= 6.15D-06
 ErrMax= 6.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.92D-08 BMatP= 1.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.548D-03 0.800D-02 0.611D-02 0.178D+00 0.291D+00 0.517D+00
 Coeff:     -0.548D-03 0.800D-02 0.611D-02 0.178D+00 0.291D+00 0.517D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.06D-06 MaxDP=4.11D-04 DE=-1.29D-06 OVMax= 7.86D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.48D-06    CP:  2.17D+00  1.04D+00  9.18D-01  1.20D+00  9.19D-01
                    CP:  1.07D+00
 E= -656.847554609277     Delta-E=       -0.000000086026 Rises=F Damp=F
 DIIS: error= 1.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.847554609277     IErMin= 7 ErrMin= 1.36D-06
 ErrMax= 1.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-09 BMatP= 9.92D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.785D-04-0.145D-02-0.229D-03 0.385D-01 0.753D-01 0.224D+00
 Coeff-Com:  0.664D+00
 Coeff:     -0.785D-04-0.145D-02-0.229D-03 0.385D-01 0.753D-01 0.224D+00
 Coeff:      0.664D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=1.13D-04 DE=-8.60D-08 OVMax= 2.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.11D-06    CP:  2.17D+00  1.04D+00  9.18D-01  1.21D+00  9.26D-01
                    CP:  1.06D+00  7.97D-01
 E= -656.847554612896     Delta-E=       -0.000000003619 Rises=F Damp=F
 DIIS: error= 4.53D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.847554612896     IErMin= 8 ErrMin= 4.53D-07
 ErrMax= 4.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-10 BMatP= 4.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-04-0.109D-02-0.363D-03 0.106D-01 0.239D-01 0.896D-01
 Coeff-Com:  0.351D+00 0.526D+00
 Coeff:     -0.146D-04-0.109D-02-0.363D-03 0.106D-01 0.239D-01 0.896D-01
 Coeff:      0.351D+00 0.526D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.04D-07 MaxDP=3.84D-05 DE=-3.62D-09 OVMax= 1.30D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.72D-07    CP:  2.17D+00  1.04D+00  9.18D-01  1.21D+00  9.27D-01
                    CP:  1.05D+00  8.43D-01  8.86D-01
 E= -656.847554613580     Delta-E=       -0.000000000684 Rises=F Damp=F
 DIIS: error= 2.12D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.847554613580     IErMin= 9 ErrMin= 2.12D-07
 ErrMax= 2.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.75D-11 BMatP= 5.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.429D-05-0.420D-03-0.173D-03 0.353D-03 0.258D-02 0.188D-01
 Coeff-Com:  0.103D+00 0.318D+00 0.557D+00
 Coeff:      0.429D-05-0.420D-03-0.173D-03 0.353D-03 0.258D-02 0.188D-01
 Coeff:      0.103D+00 0.318D+00 0.557D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.87D-07 MaxDP=1.20D-05 DE=-6.84D-10 OVMax= 5.08D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.19D-07    CP:  2.17D+00  1.04D+00  9.18D-01  1.21D+00  9.26D-01
                    CP:  1.05D+00  8.27D-01  9.11D-01  8.16D-01
 E= -656.847554613568     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 5.42D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -656.847554613580     IErMin=10 ErrMin= 5.42D-08
 ErrMax= 5.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.35D-12 BMatP= 9.75D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.364D-05-0.178D-03-0.754D-04-0.536D-03-0.563D-04 0.502D-02
 Coeff-Com:  0.368D-01 0.147D+00 0.317D+00 0.495D+00
 Coeff:      0.364D-05-0.178D-03-0.754D-04-0.536D-03-0.563D-04 0.502D-02
 Coeff:      0.368D-01 0.147D+00 0.317D+00 0.495D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.53D-08 MaxDP=4.00D-06 DE= 1.23D-11 OVMax= 1.03D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.93D-08    CP:  2.17D+00  1.04D+00  9.18D-01  1.21D+00  9.27D-01
                    CP:  1.05D+00  8.28D-01  9.19D-01  8.48D-01  9.21D-01
 E= -656.847554613653     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 9.96D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.847554613653     IErMin=11 ErrMin= 9.96D-09
 ErrMax= 9.96D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-13 BMatP= 7.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-05-0.301D-04-0.111D-04-0.289D-03-0.291D-03 0.127D-03
 Coeff-Com:  0.491D-02 0.280D-01 0.754D-01 0.209D+00 0.683D+00
 Coeff:      0.102D-05-0.301D-04-0.111D-04-0.289D-03-0.291D-03 0.127D-03
 Coeff:      0.491D-02 0.280D-01 0.754D-01 0.209D+00 0.683D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.12D-08 MaxDP=2.12D-06 DE=-8.50D-11 OVMax= 3.17D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.60D-09    CP:  2.17D+00  1.04D+00  9.18D-01  1.21D+00  9.27D-01
                    CP:  1.05D+00  8.28D-01  9.21D-01  8.56D-01  9.33D-01
                    CP:  8.63D-01
 E= -656.847554613664     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 7.21D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.847554613664     IErMin=12 ErrMin= 7.21D-09
 ErrMax= 7.21D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.16D-14 BMatP= 3.11D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.308D-06-0.369D-05-0.882D-08-0.133D-03-0.166D-03-0.338D-03
 Coeff-Com: -0.352D-04 0.472D-02 0.196D-01 0.856D-01 0.426D+00 0.465D+00
 Coeff:      0.308D-06-0.369D-05-0.882D-08-0.133D-03-0.166D-03-0.338D-03
 Coeff:     -0.352D-04 0.472D-02 0.196D-01 0.856D-01 0.426D+00 0.465D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.44D-09 MaxDP=3.67D-07 DE=-1.07D-11 OVMax= 1.43D-07

 SCF Done:  E(RB3LYP) =  -656.847554614     A.U. after   12 cycles
            NFock= 12  Conv=0.54D-08     -V/T= 2.0060
 KE= 6.529445482256D+02 PE=-3.473473768544D+03 EE= 1.190654479968D+03
 Leave Link  502 at Mon Sep 27 09:56:02 2021, MaxMem=  6442450944 cpu:            7478.9 elap:             935.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.11134020D+03

 Leave Link  801 at Mon Sep 27 09:56:03 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 5.44D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 3.57D-01 1.74D-01.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 9.47D-02 1.05D-01.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 1.07D-02 2.92D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 2.93D-03 1.52D-02.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.65D-04 2.27D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 9.67D-06 5.12D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.70D-07 6.04D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 7.90D-09 1.26D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.47D-10 1.31D-06.
      8 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 2.57D-12 2.15D-07.
      3 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 7.53D-14 2.16D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 4.51D-14 1.90D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.228721D+03
      2 -0.203772D+01  0.141927D+03
      3  0.201196D+01 -0.745033D+01  0.152108D+03
 Isotropic polarizability for W=    0.088559      174.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.259295D+03  0.393499D+02 -0.237437D+02
      2  -0.140302D+03 -0.211282D+02  0.431198D+02
      3  -0.118993D+03 -0.182217D+02 -0.193762D+02
      4  -0.407160D+02  0.723880D+02 -0.172627D+02
      5  -0.256742D+02 -0.232215D+02  0.752148D+02
      6  -0.121349D+01  0.243508D+02 -0.362986D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.830586D+01 -0.742406D+01  0.236273D+02
      2  -0.489436D+00 -0.785642D+01  0.360010D+02
      3  -0.109081D+03 -0.403713D+02  0.134691D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.595883D+01 -0.187690D+02  0.180769D+02
      2   0.193051D+01 -0.160492D+02  0.194208D+03
      3  -0.800659D+02 -0.212690D+03  0.220080D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.131663D+01 -0.126439D+00  0.136148D+02
      2  -0.126439D+00 -0.143068D+01 -0.121769D+01
      3   0.136148D+02 -0.121769D+01 -0.257913D+01
 OR G Eigenvalues:   -14.4387    -1.4314    13.1769  Iso=     0.8977
 Eigenvectors:
   (1)  -0.652187   0.064367   0.755321
   (2)   0.088361   0.996051  -0.008585
   (3)   0.752891  -0.061142   0.655299
 w=    0.088559 a.u., Optical Rotation Beta=      0.8977 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      220.68 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.56D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.84D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 4.29D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 5.21D-02 3.01D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.60D-03 8.72D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 6.46D-05 1.60D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 5.79D-07 1.61D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.26D-09 7.32D-06.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.38D-11 6.25D-07.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 1.62D-13 3.13D-08.
      9 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.26D-14 9.86D-09.
      2 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 3.77D-15 4.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.92D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.92D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.23D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228721D+03 -0.203772D+01  0.201196D+01
      2  -0.203772D+01  0.141927D+03 -0.745033D+01
      3   0.201196D+01 -0.745033D+01  0.152108D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.830586D+01 -0.742406D+01  0.236273D+02
      2  -0.489436D+00 -0.785642D+01  0.360010D+02
      3  -0.109081D+03 -0.403713D+02  0.134691D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.259295D+03  0.393499D+02 -0.237437D+02
      2  -0.140302D+03 -0.211282D+02  0.431198D+02
      3  -0.118993D+03 -0.182217D+02 -0.193762D+02
      4  -0.407160D+02  0.723880D+02 -0.172627D+02
      5  -0.256742D+02 -0.232215D+02  0.752148D+02
      6  -0.121349D+01  0.243508D+02 -0.362986D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.142383D+02 -0.169969D-01  0.778640D+00  0.656636D+01  0.225520D+01
      2  -0.169969D-01  0.143744D+01  0.219839D-01  0.225520D+01  0.200913D+01
      3   0.778640D+00  0.219839D-01  0.159361D+01 -0.166631D+00 -0.278936D+01
                 6             7             8             9            10 
      1  -0.166631D+00 -0.115797D+02  0.340622D+00 -0.593963D+00  0.346752D+02
      2  -0.278936D+01  0.340622D+00 -0.143608D+01 -0.122502D+01  0.149692D+01
      3  -0.226319D+01 -0.593963D+00 -0.122502D+01 -0.187122D+01 -0.108688D+01
                11            12            13            14            15 
      1   0.149692D+01 -0.108688D+01 -0.527176D+00  0.455377D+01  0.119653D+01
      2   0.206090D+01 -0.771387D+00  0.455377D+01 -0.823554D+00 -0.155363D+00
      3  -0.771387D+00  0.300776D+01  0.119653D+01 -0.155363D+00 -0.864550D+00
                16            17            18            19            20 
      1  -0.458807D+01  0.151833D+01  0.146198D+01  0.108389D+02 -0.131465D+00
      2   0.151833D+01  0.161939D+00 -0.701601D+00 -0.131465D+00 -0.143331D+01
      3   0.146198D+01 -0.701601D+00 -0.550063D+00 -0.735365D+00 -0.360341D+00
                21            22            23            24            25 
      1  -0.735365D+00  0.518698D+01 -0.141761D+01 -0.108096D+01 -0.155092D+02
      2  -0.360341D+00 -0.141761D+01  0.260221D+01 -0.228149D+01 -0.525764D-01
      3  -0.342928D+01 -0.108096D+01 -0.228149D+01 -0.120941D+01  0.713464D+00
                26            27            28            29            30 
      1  -0.525764D-01  0.713464D+00 -0.327640D+02 -0.355073D+00  0.109025D+01
      2  -0.851978D+00 -0.846562D+00 -0.355073D+00 -0.182275D+01  0.256178D+00
      3  -0.846562D+00 -0.161499D+01  0.109025D+01  0.256178D+00 -0.275796D+01
                31            32            33            34            35 
      1   0.192436D+01 -0.499104D+01 -0.131451D+01  0.274469D+01 -0.120425D+01
      2  -0.499104D+01  0.629039D+00  0.368221D+00 -0.120425D+01 -0.236436D+00
      3  -0.131451D+01  0.368221D+00  0.437416D-01 -0.978095D+00 -0.757798D+00
                36            37            38            39            40 
      1  -0.978095D+00  0.158434D+02 -0.541145D+00 -0.944033D+00 -0.386070D+01
      2  -0.757798D+00 -0.541145D+00 -0.243209D+01  0.131544D+01 -0.201702D+01
      3   0.985648D+00 -0.944033D+00  0.131544D+01 -0.232264D+01 -0.268898D+00
                41            42            43            44            45 
      1  -0.201702D+01 -0.268898D+00  0.131330D+02 -0.206280D+01  0.684290D+00
      2  -0.271774D+01  0.257199D+01 -0.206280D+01  0.160813D+01  0.134182D+01
      3   0.257199D+01  0.207742D+01  0.684290D+00  0.134182D+01  0.146956D+01
                46            47            48            49            50 
      1  -0.116797D+02  0.669988D+00  0.542141D+00 -0.343870D+01  0.974089D+00
      2   0.669988D+00  0.199077D+01 -0.751512D+00  0.974089D+00 -0.364352D+01
      3   0.542141D+00 -0.751512D+00  0.364500D+01  0.164092D+01  0.217117D+01
                51            52            53            54            55 
      1   0.164092D+01  0.150388D+02  0.139737D+01 -0.124232D+01 -0.188591D+02
      2   0.217117D+01  0.139737D+01  0.340997D-02  0.151908D+01 -0.213668D+01
      3   0.111350D+01 -0.124232D+01  0.151908D+01  0.827936D+00 -0.265638D+00
                56            57            58            59            60 
      1  -0.213668D+01 -0.265638D+00 -0.701497D+01 -0.776437D+01 -0.524156D+00
      2  -0.376076D+01 -0.144333D+00 -0.776437D+01  0.275335D+01 -0.171424D+01
      3  -0.144333D+00 -0.139002D+01 -0.524156D+00 -0.171424D+01 -0.119805D+00
                61            62            63            64            65 
      1  -0.704760D+01 -0.138347D+01 -0.316687D+01 -0.342692D+00  0.329331D+01
      2  -0.138347D+01 -0.334992D+01  0.628223D+00  0.329331D+01  0.421820D+01
      3  -0.316687D+01  0.628223D+00  0.560063D+01 -0.547582D-01  0.409471D+00
                66            67            68            69            70 
      1  -0.547582D-01  0.132116D+02  0.717030D+01  0.795181D+00  0.721636D+01
      2   0.409471D+00  0.717030D+01 -0.205362D+01  0.227601D+01  0.145138D+01
      3   0.261161D+01  0.795181D+00  0.227601D+01  0.646819D+00  0.408212D+01
                71            72            73            74            75 
      1   0.145138D+01  0.408212D+01  0.614260D+01 -0.287411D+01 -0.119594D+01
      2   0.342401D+01  0.695343D+00 -0.287411D+01 -0.372537D+01 -0.754905D+00
      3   0.695343D+00 -0.778013D+01 -0.119594D+01 -0.754905D+00 -0.193757D+01
                76            77            78            79            80 
      1  -0.396073D+01 -0.423183D+01 -0.951811D+00 -0.263859D+01 -0.995514D+00
      2  -0.423183D+01 -0.840189D-01 -0.298576D+01 -0.995514D+00 -0.427003D+01
      3  -0.951811D+00 -0.298576D+01 -0.109743D+01 -0.277559D+01 -0.215239D+01
                81            82            83            84            85 
      1  -0.277559D+01  0.592701D+01 -0.190640D+01 -0.641806D+00 -0.455843D+01
      2  -0.215239D+01 -0.190640D+01 -0.359242D+01 -0.589585D+00 -0.613395D+01
      3   0.556528D+01 -0.641806D+00 -0.589585D+00 -0.285374D+01 -0.929521D+00
                86            87            88            89            90 
      1  -0.613395D+01 -0.929521D+00 -0.250686D+01 -0.100801D+01 -0.484935D+01
      2   0.243009D+01 -0.389188D+01 -0.100801D+01 -0.403546D+01 -0.339147D+00
      3  -0.389188D+01 -0.527637D+00 -0.484935D+01 -0.339147D+00  0.473419D+01
                91            92            93            94            95 
      1   0.685977D+01  0.236337D+01  0.318577D+00 -0.142578D+01  0.700174D+01
      2   0.236337D+01  0.260618D+01  0.126638D+01  0.700174D+01 -0.430371D+01
      3   0.318577D+00  0.126638D+01  0.144958D+01  0.208248D+01 -0.105130D+00
                96            97            98            99           100 
      1   0.208248D+01  0.416290D+01  0.211328D+01  0.198345D+01  0.309470D+01
      2  -0.105130D+00  0.211328D+01  0.231425D+01  0.212117D+01 -0.199463D+01
      3   0.153802D+01  0.198345D+01  0.212117D+01 -0.434839D+01  0.177400D+01
               101           102           103           104           105 
      1  -0.199463D+01  0.177400D+01 -0.220510D+01 -0.128083D+01 -0.139850D+01
      2   0.514276D-01 -0.100789D+01 -0.128083D+01  0.493938D+01  0.118689D+00
      3  -0.100789D+01  0.369903D+00 -0.139850D+01  0.118689D+00 -0.170579D+01
               106           107           108           109           110 
      1   0.390486D+01 -0.327569D+01  0.150079D+01 -0.588360D+01  0.231615D+01
      2  -0.327569D+01  0.231147D+01 -0.284738D+01  0.231615D+01 -0.144437D+01
      3   0.150079D+01 -0.284738D+01  0.278286D+01 -0.362176D+01  0.765981D+00
               111           112           113           114           115 
      1  -0.362176D+01  0.393600D+01 -0.252022D+01  0.129827D+01 -0.100165D+02
      2   0.765981D+00 -0.252022D+01  0.224929D+01 -0.221755D+01  0.370889D+01
      3  -0.181778D+01  0.129827D+01 -0.221755D+01  0.202095D+01 -0.338600D+01
               116           117           118           119           120 
      1   0.370889D+01 -0.338600D+01  0.985819D+00 -0.732095D-02  0.125593D+01
      2  -0.463939D+01  0.225459D+01 -0.732095D-02  0.239234D+01  0.492286D+00
      3   0.225459D+01 -0.740976D+01  0.125593D+01  0.492286D+00  0.241360D+00
               121           122           123           124           125 
      1   0.713146D+00  0.245953D+01  0.217511D+00  0.445971D+01 -0.143349D+01
      2   0.245953D+01 -0.715561D+01  0.559252D+00 -0.143349D+01  0.265298D+01
      3   0.217511D+00  0.559252D+00  0.208448D+00 -0.118991D+01  0.276937D+01
               126           127           128           129           130 
      1  -0.118991D+01  0.195048D+01  0.627186D+00 -0.203471D+01  0.202832D+00
      2   0.276937D+01  0.627186D+00  0.246500D+00 -0.438908D+00  0.150915D+00
      3   0.468822D+01 -0.203471D+01 -0.438908D+00  0.214660D+01 -0.695376D+00
               131           132           133           134           135 
      1   0.150915D+00 -0.695376D+00 -0.231787D+01 -0.897748D+00  0.275638D+01
      2   0.393163D+00 -0.638542D+00 -0.897748D+00 -0.113107D+01  0.174373D+01
      3  -0.638542D+00  0.228386D+01  0.275638D+01  0.174373D+01 -0.726025D+01
               136           137           138           139           140 
      1  -0.361807D+01  0.101794D+01 -0.191824D+01  0.155344D+01 -0.588891D+00
      2   0.101794D+01 -0.664624D+00  0.629888D+00 -0.588891D+00  0.572189D+00
      3  -0.191824D+01  0.629888D+00 -0.179095D+01  0.114693D+01 -0.624068D+00
               141           142           143           144           145 
      1   0.114693D+01 -0.232835D+01  0.908267D+00 -0.257540D+01 -0.206159D+01
      2  -0.624068D+00  0.908267D+00 -0.116444D+01  0.143927D+01 -0.694642D+00
      3   0.171820D+01 -0.257540D+01  0.143927D+01 -0.453887D+01  0.214343D+01
               146           147           148           149           150 
      1  -0.694642D+00  0.214343D+01 -0.485528D+00 -0.169334D+00  0.747907D+00
      2  -0.320384D+00  0.690706D+00 -0.169334D+00 -0.576944D+00  0.863493D+00
      3   0.690706D+00 -0.226915D+01  0.747907D+00  0.863493D+00 -0.242341D+01
               151           152           153           154           155 
      1   0.203436D+01  0.109784D+01 -0.281955D+01  0.371893D+01 -0.118756D+01
      2   0.109784D+01  0.156754D+01 -0.249854D+01 -0.118756D+01  0.882426D+00
      3  -0.281955D+01 -0.249854D+01  0.758936D+01  0.258913D+01 -0.118257D+01
               156           157           158           159           160 
      1   0.258913D+01 -0.212815D+01  0.843013D+00 -0.144900D+01  0.269872D+01
      2  -0.118257D+01  0.843013D+00 -0.861057D+00  0.941715D+00 -0.131736D+01
      3   0.235031D+01 -0.144900D+01  0.941715D+00 -0.207481D+01  0.304234D+01
               161           162           163           164           165 
      1  -0.131736D+01  0.304234D+01  0.115065D+01 -0.354099D-01 -0.149102D+01
      2   0.163017D+01 -0.221339D+01 -0.354099D-01  0.710721D+00  0.305255D+00
      3  -0.221339D+01  0.512904D+01 -0.149102D+01  0.305255D+00  0.136365D+01
               166           167           168           169           170 
      1   0.192557D+01  0.117948D+01 -0.922154D-01 -0.377251D+01  0.139732D+00
      2   0.117948D+01 -0.412790D+00 -0.702787D+00  0.139732D+00 -0.112275D+01
      3  -0.922154D-01 -0.702787D+00  0.180615D+00  0.249851D+01 -0.123617D+01
               171           172           173           174           175 
      1   0.249851D+01  0.467375D+01 -0.193190D+01  0.610419D+00 -0.455550D+01
      2  -0.123617D+01 -0.193190D+01  0.244223D+01 -0.437482D-01  0.372171D+01
      3  -0.632956D+01  0.610419D+00 -0.437482D-01  0.336223D+00 -0.189545D+00
               176           177           178           179           180 
      1   0.372171D+01 -0.189545D+00  0.554240D+01 -0.485319D+00  0.105320D+01
      2  -0.680399D+01  0.819110D+00 -0.485319D+00  0.215016D+01 -0.109420D+01
      3   0.819110D+00 -0.722839D+00  0.105320D+01 -0.109420D+01  0.273771D+00
               181           182           183           184           185 
      1  -0.755262D+00 -0.827599D+00  0.122063D+01 -0.179234D+01 -0.845839D+00
      2  -0.827599D+00 -0.847137D+00 -0.544106D-01 -0.845839D+00  0.198914D+00
      3   0.122063D+01 -0.544106D-01 -0.990167D+00  0.108127D+00  0.648303D+00
               186           187           188           189           190 
      1   0.108127D+00  0.221379D+01  0.147277D+00 -0.704960D+00 -0.890861D+01
      2   0.648303D+00  0.147277D+00  0.106768D+01 -0.555258D-01  0.689709D+00
      3  -0.527967D-01 -0.704960D+00 -0.555258D-01  0.744424D+01  0.487024D+00
               191           192           193           194           195 
      1   0.689709D+00  0.487024D+00  0.245063D+00 -0.128231D+01  0.618080D-01
      2  -0.237915D+01  0.814075D-01 -0.128231D+01  0.780846D+00  0.348678D+00
      3   0.814075D-01 -0.636201D+00  0.618080D-01  0.348678D+00  0.422190D+00
               196           197           198           199           200 
      1   0.556837D+00 -0.169815D+00 -0.299017D+00  0.355181D+00  0.672825D+00
      2  -0.169815D+00  0.606073D+00  0.621529D+00  0.672825D+00  0.915371D+00
      3  -0.299017D+00  0.621529D+00 -0.295429D+00 -0.101420D+01 -0.296380D+00
               201           202           203           204           205 
      1  -0.101420D+01  0.307042D+00  0.571813D+00 -0.686451D-01 -0.172333D+01
      2  -0.296380D+00  0.571813D+00  0.853274D+00 -0.694602D+00 -0.561889D+00
      3   0.137615D+01 -0.686451D-01 -0.694602D+00  0.535327D+00  0.151614D+01
               206           207           208           209           210 
      1  -0.561889D+00  0.151614D+01  0.253725D+01  0.280845D+01  0.958373D+00
      2  -0.199328D+01  0.200317D+01  0.280845D+01  0.355399D+01  0.775433D+00
      3   0.200317D+01 -0.677541D+01  0.958373D+00  0.775433D+00  0.970526D+00
               211           212           213           214           215 
      1   0.231689D+01  0.346886D+01  0.911695D+00  0.199397D+01  0.165022D+01
      2   0.346886D+01  0.691348D+01  0.197445D+01  0.165022D+01  0.359015D+01
      3   0.911695D+00  0.197445D+01  0.134525D+01  0.131100D+01  0.195024D+01
               216           217           218           219           220 
      1   0.131100D+01  0.200035D+01  0.126415D+00 -0.150679D+01  0.451239D+00
      2   0.195024D+01  0.126415D+00  0.598725D+00  0.623579D-01  0.122024D+01
      3   0.111879D+01 -0.150679D+01  0.623579D-01  0.165721D+01 -0.167388D-01
               221           222           223           224           225 
      1   0.122024D+01 -0.167388D-01 -0.451721D+01  0.118612D+00  0.349214D+01
      2  -0.176793D+00 -0.447239D+00  0.118612D+00 -0.924546D+00 -0.262092D-01
      3  -0.447239D+00  0.147655D+00  0.349214D+01 -0.262092D-01 -0.620908D+01
               226           227           228           229           230 
      1   0.189051D+01 -0.171257D+01  0.845798D+00 -0.411093D+01  0.355256D+01
      2  -0.171257D+01  0.178349D+01 -0.520950D+00  0.355256D+01 -0.599728D+01
      3   0.845798D+00 -0.520950D+00  0.832820D+00 -0.108030D+01  0.202329D+01
               231           232           233           234           235 
      1  -0.108030D+01  0.196997D+01 -0.972253D+00  0.169932D+01  0.498541D+01
      2   0.202329D+01 -0.972253D+00  0.224075D+01 -0.134298D+01  0.254614D+01
      3  -0.154177D+01  0.169932D+01 -0.134298D+01  0.109804D+01  0.180562D+01
               236           237           238           239           240 
      1   0.254614D+01  0.180562D+01  0.617813D+01  0.379765D+01  0.172263D+01
      2   0.198667D+01  0.949531D+00  0.379765D+01  0.348718D+01  0.186432D+01
      3   0.949531D+00  0.136842D+01  0.172263D+01  0.186432D+01  0.163751D+01
               241           242           243           244           245 
      1   0.402074D+01  0.160083D+01  0.262424D+01  0.446985D+00 -0.862632D+00
      2   0.160083D+01  0.204736D+01  0.139085D+01 -0.862632D+00 -0.494509D+00
      3   0.262424D+01  0.139085D+01  0.163838D+01  0.136554D+01  0.896067D-01
               246           247           248           249           250 
      1   0.136554D+01 -0.124167D+01 -0.106690D+01  0.191184D+00  0.263171D+01
      2   0.896067D-01 -0.106690D+01 -0.627615D+00  0.110847D+01  0.288995D+00
      3  -0.115581D+01  0.191184D+00  0.110847D+01 -0.128963D+01 -0.198822D+01
               251           252           253           254           255 
      1   0.288995D+00 -0.198822D+01  0.927384D+01  0.415613D-02 -0.174652D+01
      2   0.147141D+01 -0.118481D+01  0.415613D-02 -0.394625D+01 -0.914076D+00
      3  -0.118481D+01  0.611184D+01 -0.174652D+01 -0.914076D+00 -0.120536D+01
               256           257           258           259           260 
      1  -0.545356D+01 -0.427542D+01 -0.142266D+01 -0.708720D+01 -0.183333D+01
      2  -0.427542D+01  0.380417D+01 -0.142750D+01 -0.183333D+01 -0.287858D+01
      3  -0.142266D+01 -0.142750D+01 -0.198102D+01 -0.167231D+01 -0.147365D+01
               261           262           263           264           265 
      1  -0.167231D+01 -0.121678D+01  0.172002D+01  0.599661D+00  0.181770D+01
      2  -0.147365D+01  0.172002D+01 -0.239127D+01 -0.589256D+00 -0.347942D+01
      3   0.379537D+01  0.599661D+00 -0.589256D+00 -0.498422D+00 -0.738535D+00
               266           267           268           269           270 
      1  -0.347942D+01 -0.738535D+00 -0.336615D+00  0.638243D+00 -0.261357D+00
      2   0.106833D+02  0.218473D+01  0.638243D+00 -0.155154D+01  0.631638D+00
      3   0.218473D+01  0.183788D+01 -0.261357D+00  0.631638D+00  0.554337D+00
               271           272           273           274           275 
      1  -0.164613D+02 -0.251916D+01  0.111617D+00  0.464022D+00 -0.113482D+01
      2  -0.251916D+01 -0.151738D+01 -0.163885D+00 -0.113482D+01 -0.639947D+00
      3   0.111617D+00 -0.163885D+00 -0.102332D+01  0.103773D+00  0.194488D+00
               276           277           278           279           280 
      1   0.103773D+00  0.258113D+01  0.572322D+00 -0.122892D+01 -0.240645D-01
      2   0.194488D+00  0.572322D+00  0.673810D+00 -0.788264D-01 -0.845385D+00
      3   0.232201D+00 -0.122892D+01 -0.788264D-01  0.203343D-01  0.307048D+00
               281           282           283           284           285 
      1  -0.845385D+00  0.307048D+00 -0.144303D+01 -0.652861D-01 -0.283945D-01
      2   0.240490D+01  0.262180D+00 -0.652861D-01 -0.854106D+01  0.306904D-01
      3   0.262180D+00  0.427620D+00 -0.283945D-01  0.306904D-01 -0.858699D+00
               286           287           288           289           290 
      1   0.103988D+01  0.330579D+00  0.385896D-01 -0.537726D+00  0.228097D+00
      2   0.330579D+00  0.145106D+01 -0.753536D+00  0.228097D+00  0.489493D+00
      3   0.385896D-01 -0.753536D+00 -0.107805D+00 -0.546140D+00  0.210058D+00
               291           292           293           294           295 
      1  -0.546140D+00  0.120194D+01  0.344224D+00  0.191434D+00 -0.197412D+01
      2   0.210058D+00  0.344224D+00  0.120219D+00 -0.391547D+00 -0.369269D+00
      3   0.330018D+00  0.191434D+00 -0.391547D+00  0.743178D+00 -0.726111D+00
               296           297 
      1  -0.369269D+00 -0.726111D+00
      2  -0.138685D+01 -0.282304D+00
      3  -0.282304D+00 -0.633689D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.148710D+01 -0.261641D+01  0.129200D+01 -0.708106D+01 -0.243103D+01
      2   0.398439D+01 -0.212300D+01  0.929123D+01 -0.283904D+01  0.163559D+01
      3   0.200667D+02 -0.198185D+01  0.311635D+01  0.777587D+01 -0.165119D+01
                 6             7             8             9            10 
      1  -0.228102D+01 -0.161039D+01  0.215659D+01  0.102727D+00 -0.107720D+01
      2  -0.330436D+01 -0.437755D+01 -0.116580D+01  0.238089D+01  0.187543D+00
      3   0.218841D+01  0.160912D+02  0.424024D+00  0.317110D+01 -0.341206D+02
                11            12            13            14            15 
      1   0.242376D+00  0.186598D+01  0.235950D+01  0.452956D+01 -0.876343D+01
      2   0.674703D+00 -0.431830D+01  0.548089D+01  0.302411D+00  0.691157D+00
      3  -0.760240D+00  0.630955D+00  0.122888D+02 -0.152361D+01 -0.403307D+00
                16            17            18            19            20 
      1  -0.330111D+01 -0.207829D+01 -0.531863D+01 -0.365114D+00  0.190311D+01
      2  -0.276347D+02 -0.203796D+01 -0.269102D+01 -0.520076D+01 -0.205727D+01
      3  -0.126685D+01 -0.168149D+01 -0.199827D+01 -0.136767D+02 -0.133892D+01
                21            22            23            24            25 
      1  -0.134519D+01  0.571651D+01 -0.189843D+01 -0.341078D+01  0.529137D+01
      2   0.309987D+01 -0.432557D+01 -0.196697D+01  0.106405D+01 -0.453487D+00
      3   0.237257D+01  0.725599D+01  0.150847D+01 -0.261524D+01  0.200912D+02
                26            27            28            29            30 
      1   0.169137D+01 -0.163420D+01  0.195591D+01  0.451105D+00 -0.294794D+01
      2   0.740328D+00 -0.118437D+01  0.754293D+00  0.260737D+01 -0.407931D+01
      3  -0.171066D+01 -0.480321D+01  0.323477D+02  0.209814D-01 -0.298431D+01
                31            32            33            34            35 
      1  -0.169341D+01  0.456955D+01 -0.898433D+01 -0.553200D+01 -0.127073D+01
      2   0.551031D+01 -0.292335D+00  0.230311D+01 -0.294008D+02  0.364140D+01
      3   0.107240D+02  0.546353D+01  0.765415D+00 -0.688437D+01 -0.214559D+01
                36            37            38            39            40 
      1  -0.333719D+01 -0.272895D+01 -0.109042D+01 -0.146853D+01 -0.609323D+01
      2  -0.176290D+01  0.244740D+01 -0.278891D+01  0.856253D+01 -0.373705D+01
      3   0.232112D+01 -0.161859D+02 -0.186808D+00  0.312810D+01  0.132655D+02
                41            42            43            44            45 
      1   0.124106D+01  0.999952D+00 -0.203397D+01  0.397478D+01  0.260705D+01
      2   0.178710D+01 -0.179071D+01 -0.664049D+01 -0.113721D+01  0.247907D+01
      3  -0.312614D+00  0.235488D+01 -0.128938D+02  0.467098D+01  0.133230D+01
                46            47            48            49            50 
      1   0.132574D+01  0.178277D+01  0.300759D+01  0.888272D+01  0.114954D+01
      2  -0.403375D+01 -0.223598D+01  0.385077D+01 -0.437723D+01 -0.185798D+01
      3   0.146866D+02 -0.249653D+01 -0.806715D+00  0.145727D+02  0.142164D+01
                51            52            53            54            55 
      1  -0.268350D+01  0.272868D+01  0.376479D+01  0.721190D+00 -0.181710D+01
      2   0.889892D+00 -0.759516D+00  0.151147D+01 -0.197929D+01 -0.426867D+01
      3  -0.432353D+01 -0.122047D+02 -0.171332D+01 -0.984700D+00  0.193383D+02
                56            57            58            59            60 
      1  -0.107706D+00 -0.467984D+00 -0.365946D+00 -0.575730D+01 -0.803462D+00
      2   0.242516D+00 -0.549440D+00 -0.194558D+01 -0.110972D+02  0.122423D+01
      3   0.111741D+02  0.600773D+00  0.390132D+02 -0.941909D+00  0.620773D+01
                61            62            63            64            65 
      1   0.203740D+00  0.422917D+01  0.466850D+01  0.233806D+01  0.999784D+00
      2  -0.223944D+02  0.450752D+00  0.217842D+02  0.466093D+01  0.172961D+01
      3   0.115805D+02  0.121735D+02  0.179086D+01 -0.225789D+02 -0.213724D+02
                66            67            68            69            70 
      1  -0.173930D+01 -0.598284D+00 -0.176848D+01 -0.207273D+01  0.273172D+00
      2   0.132376D+02  0.543974D+01  0.114474D+02  0.347182D+00  0.139893D+02
      3  -0.194523D+01 -0.303706D+02  0.758569D+01 -0.950971D+01 -0.124024D+02
                71            72            73            74            75 
      1   0.440825D+01  0.460803D+01  0.218950D+01  0.241093D+01  0.496230D+01
      2   0.379416D+01 -0.359959D+02 -0.106605D+01 -0.441953D+01 -0.511823D+01
      3  -0.144470D+02 -0.303988D+01  0.283699D+02  0.390576D+01  0.833308D+00
                76            77            78            79            80 
      1   0.342843D+01  0.961646D+01  0.196262D+01  0.707958D+01  0.879153D+01
      2  -0.557036D+01 -0.111937D+02 -0.393747D+01 -0.121879D+02 -0.743366D+01
      3   0.108370D+02 -0.770933D+01  0.879460D+01  0.142077D+01  0.127402D+02
                81            82            83            84            85 
      1  -0.120447D+02 -0.326309D+00 -0.264643D+00  0.213250D+00  0.363110D-04
      2   0.191000D+02 -0.664770D+01 -0.261267D+01 -0.151599D+02 -0.431686D+01
      3   0.373069D+01  0.966967D+01  0.192960D+02  0.322638D+01  0.405397D+02
                86            87            88            89            90 
      1   0.120434D+01 -0.214465D+01  0.728912D+00  0.945918D+00 -0.115165D+01
      2  -0.219198D+02 -0.115492D+01 -0.320952D+02 -0.165258D+01  0.277795D+02
      3  -0.150586D+02  0.226762D+02  0.537559D+01  0.228610D+02  0.213430D+01
                91            92            93            94            95 
      1   0.438475D+00  0.785951D+00  0.247253D+01  0.250287D+01 -0.184720D+01
      2  -0.490073D+01 -0.461626D+01 -0.633480D+00 -0.440398D+01 -0.281689D+01
      3  -0.520297D+01  0.300554D+01  0.425513D+01  0.384616D+02 -0.200636D+02
                96            97            98            99           100 
      1  -0.314013D+01  0.316912D+01  0.565406D+01 -0.138259D+01 -0.392609D+00
      2  -0.729627D+01 -0.170917D+02 -0.720121D+01  0.160431D+02  0.204729D+01
      3  -0.157771D+01  0.309072D+01  0.551705D+01  0.576715D+01  0.151209D+02
               101           102           103           104           105 
      1  -0.599216D+01 -0.586361D+01  0.477182D+00 -0.309247D-01  0.278071D+01
      2   0.380429D+01  0.482278D+01  0.204430D+01  0.183413D+01  0.139915D+02
      3  -0.148621D+02 -0.606201D+01 -0.730862D+01  0.723201D+01  0.262823D+01
               106           107           108           109           110 
      1  -0.766325D+01 -0.406743D+00 -0.400814D+01  0.420669D+01  0.300761D+01
      2  -0.530768D+01  0.115788D+02 -0.171939D+02  0.931472D+01 -0.271683D+01
      3  -0.147697D+02  0.158540D+02 -0.779047D+01 -0.726529D+00 -0.474044D+01
               111           112           113           114           115 
      1   0.418336D+01 -0.644281D+00 -0.474257D-02 -0.704346D+01  0.444558D+01
      2   0.891866D+01 -0.634907D+00  0.745324D+01 -0.108913D+02  0.516775D+01
      3   0.968373D+00 -0.620928D+01  0.114846D+02 -0.787201D+01  0.161401D+02
               116           117           118           119           120 
      1   0.530328D+01  0.113672D+02 -0.394597D+01  0.273100D+01  0.206619D+00
      2  -0.718687D+01  0.306409D+02 -0.561069D+01 -0.121016D+01  0.220646D+00
      3  -0.208503D+02  0.673736D+01 -0.213657D+01  0.774605D+01  0.443233D+01
               121           122           123           124           125 
      1   0.725200D+00 -0.545269D+01 -0.275280D+01 -0.217741D+01  0.748844D+01
      2  -0.301709D+01 -0.388145D+01 -0.193403D+01 -0.844673D+00 -0.838684D+01
      3   0.821208D+01 -0.194078D+02  0.219387D+01 -0.326887D+01  0.840483D+01
               126           127           128           129           130 
      1  -0.686262D+01 -0.185354D+01 -0.194487D+01  0.100166D+01 -0.199239D+00
      2  -0.155636D+02  0.448750D+01  0.918508D+00 -0.990816D+00  0.414384D+00
      3   0.904358D+01 -0.140489D+00 -0.102919D+01  0.858902D+00  0.105337D+01
               131           132           133           134           135 
      1  -0.136402D+01 -0.186711D+00  0.280029D+01  0.527582D+01 -0.481008D+01
      2  -0.532544D-01  0.514912D+00 -0.479134D+01 -0.351881D+00 -0.174010D+01
      3  -0.509519D+00  0.453517D+00  0.915657D+00  0.219449D+01 -0.159387D+01
               136           137           138           139           140 
      1  -0.241546D+01  0.293097D+01 -0.753462D+00  0.107087D+01 -0.119501D+01
      2  -0.814370D+01  0.166723D+01 -0.968219D+00  0.184605D+01 -0.549606D+00
      3   0.322118D+00 -0.154299D+01  0.799236D+00  0.348062D+00  0.134258D+01
               141           142           143           144           145 
      1  -0.600752D+00 -0.192902D+01  0.401559D+01 -0.259749D+01  0.174382D+01
      2   0.638862D-01 -0.413826D+01  0.519304D+00  0.986322D+00  0.435002D+01
      3  -0.423020D+00  0.567391D+00 -0.258549D+01  0.167468D+01  0.263485D+01
               146           147           148           149           150 
      1  -0.896183D+00 -0.221303D+01  0.104710D+01  0.429006D-01 -0.362169D+01
      2   0.439963D+00 -0.898176D+00  0.490909D+00 -0.228681D+00  0.577471D+00
      3  -0.428489D-01 -0.201720D+01  0.168385D+01 -0.353510D+00 -0.496884D+00
               151           152           153           154           155 
      1  -0.169472D+01  0.233060D+01  0.542413D+01  0.247894D+01  0.126118D+01
      2  -0.441834D+01 -0.343171D+00 -0.123435D+01 -0.559225D+01  0.286067D+00
      3  -0.221950D+01  0.884628D+00  0.185164D+01 -0.507495D+01 -0.863488D+00
               156           157           158           159           160 
      1   0.217847D+01 -0.138992D+01  0.185134D+00 -0.375411D+01  0.237276D+01
      2  -0.252595D+00  0.128960D+01  0.133811D+00 -0.938178D+00 -0.298884D+01
      3  -0.225437D+01  0.449937D+01  0.567647D+00  0.841405D+00 -0.296442D+01
               161           162           163           164           165 
      1   0.147710D+01  0.403096D+01 -0.129392D+01 -0.647230D+00  0.109536D+01
      2  -0.989512D-01  0.198402D+01 -0.527739D+01  0.713353D+00  0.564229D+01
      3  -0.124103D+01 -0.197070D+01 -0.176664D+01 -0.356285D+01  0.554658D+00
               166           167           168           169           170 
      1   0.142267D+00 -0.312890D+00 -0.918093D+00  0.222008D+01  0.227334D+01
      2   0.535468D+00 -0.113857D+01  0.989267D+00  0.248028D+01 -0.407466D+01
      3  -0.337917D+01  0.299573D+00  0.173447D+01  0.308559D+01  0.406642D+01
               171           172           173           174           175 
      1  -0.642040D+01  0.949836D+00 -0.108264D+01  0.137652D+01 -0.164655D+01
      2  -0.208390D+02  0.506019D+01 -0.146881D+01  0.317442D+01 -0.288127D+01
      3   0.355270D+00  0.112744D+01 -0.770606D+01 -0.281710D+00 -0.459453D+01
               176           177           178           179           180 
      1   0.361930D+01 -0.346537D+01  0.153894D+01 -0.128982D+01  0.116322D+01
      2   0.582901D+01 -0.355471D+01  0.360081D+01 -0.418580D+01  0.712056D+00
      3   0.184177D+02 -0.191605D+01 -0.378743D+01 -0.700070D+01  0.194328D+01
               181           182           183           184           185 
      1  -0.263379D+01 -0.157019D+01  0.836729D+00 -0.107642D+01 -0.332238D+00
      2   0.788206D+01  0.826442D+00 -0.453816D+01  0.223387D+01  0.339864D+01
      3   0.283076D+01  0.263997D+01  0.327218D+00  0.537542D+01 -0.757007D+00
               186           187           188           189           190 
      1  -0.671618D+00  0.153967D+01  0.354881D+01 -0.410275D+01  0.446262D+00
      2  -0.799996D+00 -0.885965D+01 -0.110584D+01  0.307962D+02 -0.155211D+01
      3  -0.252320D+01  0.758135D-01 -0.370764D+01 -0.119264D+00 -0.273226D+02
               191           192           193           194           195 
      1   0.620411D+00  0.224486D+01  0.731448D-01 -0.848294D+00 -0.117507D+01
      2   0.427272D+00 -0.153453D+00  0.355332D+00  0.819177D+00  0.250740D+00
      3   0.657823D+01  0.794514D+00  0.649411D+01 -0.389315D+01 -0.120845D+01
               196           197           198           199           200 
      1   0.232929D+01  0.542226D+00  0.669986D+00  0.226457D+01 -0.494575D-01
      2  -0.344418D+01  0.127199D+01 -0.103777D+01 -0.332442D+01 -0.115113D+01
      3   0.112781D+01 -0.234223D+01 -0.294769D+01 -0.263526D+01 -0.325872D+01
               201           202           203           204           205 
      1  -0.298952D+01  0.240240D+00  0.114044D+01 -0.228584D+01 -0.308284D+01
      2   0.509368D+01 -0.191217D+00 -0.196726D+01  0.116695D+01  0.846603D+00
      3  -0.296475D+00 -0.379566D+00 -0.178784D+01  0.194659D+01 -0.208103D+01
               206           207           208           209           210 
      1  -0.278577D+00  0.152969D+02 -0.278839D+01 -0.235180D+01 -0.395562D+01
      2   0.638866D+01 -0.227784D+02  0.364721D+01  0.332586D+01  0.476581D+01
      3   0.714179D+01 -0.531156D+01 -0.507249D+01 -0.974709D+01 -0.868584D+00
               211           212           213           214           215 
      1  -0.361830D+01 -0.572418D+01 -0.597957D+01 -0.367191D+01 -0.359766D+01
      2   0.331385D+01  0.765412D+01  0.598885D+01  0.371792D+01  0.713945D+01
      3  -0.353569D+01 -0.191605D+02 -0.498810D+01 -0.119677D+01 -0.106919D+02
               216           217           218           219           220 
      1  -0.354392D+01  0.266152D+00 -0.438865D+00 -0.174498D-01  0.150624D+00
      2   0.430037D+01 -0.905878D+01  0.241402D+00  0.110824D+02 -0.134721D+00
      3  -0.473257D+01 -0.600668D+00 -0.437119D+01 -0.348993D+00 -0.503263D+01
               221           222           223           224           225 
      1   0.282162D-01 -0.872788D+00 -0.664507D+00  0.265962D+01  0.932456D+00
      2  -0.237890D+01  0.746575D+00  0.164579D+02 -0.682581D-01 -0.366443D+02
      3   0.100514D+01  0.203825D+01 -0.817708D+00  0.615784D+01 -0.209394D+00
               226           227           228           229           230 
      1  -0.716100D+00  0.727410D+00  0.490134D+00  0.843190D+00 -0.251451D+01
      2   0.424384D+01 -0.249636D+01  0.527604D+01 -0.417406D+01  0.108455D+02
      3   0.926566D+01 -0.112207D+02  0.299605D+01 -0.158395D+02  0.342499D+02
               231           232           233           234           235 
      1  -0.177165D+01 -0.274965D+00  0.184146D+01  0.231208D+00  0.289251D+00
      2  -0.969238D+01  0.711692D+01 -0.724495D+01  0.562504D+01  0.834224D+01
      3  -0.113040D+02  0.471819D+01 -0.130980D+02  0.705043D+01 -0.125637D+02
               236           237           238           239           240 
      1   0.863915D+00 -0.963001D+00  0.256918D+00  0.119480D+01 -0.164451D+01
      2   0.458173D+01  0.950362D+01  0.733121D+01  0.967507D+01  0.101043D+02
      3  -0.133687D+02 -0.523052D+01 -0.179485D+02 -0.204482D+02 -0.104187D+02
               241           242           243           244           245 
      1  -0.681925D+00  0.152917D+01 -0.743961D+00  0.370094D+00 -0.336786D+00
      2   0.119813D+02  0.735966D+01  0.875471D+01 -0.592963D+01  0.407648D-02
      3  -0.771463D+01 -0.124679D+02 -0.746899D+01 -0.293877D+01 -0.191033D+01
               246           247           248           249           250 
      1  -0.904572D+00 -0.254371D-01 -0.720097D-01 -0.112669D+01 -0.126181D+01
      2   0.402897D+01  0.914219D-01 -0.270429D+01  0.450437D+01  0.137102D+01
      3  -0.463150D+00 -0.969602D+00 -0.116446D+01  0.291979D+01 -0.913106D+00
               251           252           253           254           255 
      1   0.270954D+01  0.338880D+01 -0.231044D+01  0.100973D+01 -0.255896D+01
      2   0.403396D+01 -0.193768D+02  0.159705D+02  0.451142D+01  0.697201D+01
      3   0.382921D+01 -0.252182D+01 -0.171932D+02 -0.178871D+02 -0.571536D+00
               256           257           258           259           260 
      1  -0.166647D+01 -0.638459D+01 -0.386010D+01 -0.972110D+00  0.119472D+01
      2   0.587222D+01  0.527673D+01  0.674308D+01  0.533432D+01  0.558394D+01
      3  -0.873886D+01  0.219283D+02 -0.407042D+01  0.634765D+00 -0.766496D+01
               261           262           263           264           265 
      1   0.939268D+01  0.931338D+00 -0.145749D+01  0.861485D+00 -0.300313D+01
      2  -0.190654D+02 -0.869353D+00  0.656255D+00  0.139717D+01  0.565780D+00
      3  -0.482415D+01  0.356471D+01 -0.562474D+01 -0.203386D+01 -0.638463D+01
               266           267           268           269           270 
      1   0.931038D+01 -0.236759D+01  0.427896D+00 -0.942692D+00  0.109813D+01
      2  -0.463899D+01 -0.601041D+01  0.389121D+00 -0.197315D+01 -0.122573D+01
      3   0.336347D+02  0.703969D+01  0.192011D+01 -0.567271D+01  0.185939D+01
               271           272           273           274           275 
      1   0.122552D+01  0.568655D+00 -0.237954D+01  0.913810D+00  0.718814D+00
      2  -0.808826D+01 -0.279801D+00  0.809646D+01 -0.861347D+00 -0.138754D+01
      3   0.154899D+02 -0.593324D+01 -0.111005D+01 -0.388524D+01 -0.955406D+00
               276           277           278           279           280 
      1  -0.212739D+00 -0.217975D+01  0.529343D+00 -0.145490D+00  0.151070D+01
      2  -0.397014D+00  0.469952D+01  0.280223D-01 -0.115629D+00 -0.107120D+01
      3   0.832243D+00 -0.168489D+01  0.198383D+01  0.174216D+01 -0.530883D+01
               281           282           283           284           285 
      1  -0.829454D+00  0.174264D+01 -0.467257D+00  0.520957D+01 -0.422759D+01
      2  -0.112937D+01 -0.133994D+01 -0.843107D+00  0.346070D-01  0.289811D+01
      3   0.937972D+01 -0.930674D-01  0.562570D+01 -0.316026D+02  0.697105D+00
               286           287           288           289           290 
      1   0.688354D+00 -0.108914D+01  0.445508D+00 -0.175309D+01 -0.620589D+00
      2  -0.161084D+01  0.248889D+01  0.520097D+00  0.426161D+01 -0.782707D-01
      3  -0.121740D+01  0.468821D+01 -0.283632D+01  0.142946D+01  0.109757D+01
               291           292           293           294           295 
      1   0.536205D+00 -0.267912D+00 -0.209524D+01  0.102684D+01 -0.124576D+00
      2  -0.198426D+01  0.143806D+01  0.194689D+01 -0.335785D+01 -0.206984D+01
      3   0.119840D+01  0.906576D+00  0.141058D+00 -0.165312D+01  0.145217D+01
               296           297 
      1   0.358273D+01 -0.117704D+02
      2   0.136285D+00  0.255330D+02
      3  -0.457108D+01  0.647565D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.387787D+01 -0.745200D+01  0.209997D+02  0.200517D+02 -0.296470D+01
      2   0.796635D+01  0.326782D+01 -0.801154D+01 -0.558063D+01  0.419723D+01
      3  -0.408848D+01  0.418418D+01 -0.129882D+02 -0.144711D+02 -0.123253D+01
      4   0.412370D-01  0.299896D+01 -0.196715D+00  0.928294D+01  0.481492D+01
      5   0.184589D+02  0.104559D+01 -0.780233D+01 -0.497892D+01 -0.232816D+01
      6   0.123432D+00 -0.327419D+01 -0.435421D+00 -0.227365D+00  0.376176D+01
                 6             7             8             9            10 
      1  -0.168292D+02 -0.279871D+02 -0.982493D+01  0.354353D+01  0.569630D+02
      2   0.124397D+01  0.485668D+01  0.133200D+01  0.477481D+01 -0.229856D+02
      3   0.155853D+02  0.231305D+02  0.849293D+01 -0.831834D+01 -0.339773D+02
      4  -0.387359D+01  0.446169D+01 -0.279895D+01 -0.499589D+01 -0.136946D+02
      5  -0.360742D+01  0.823522D+01 -0.438701D+01  0.623007D+01 -0.556727D+01
      6   0.123354D+02 -0.687056D+01  0.634377D+01  0.150818D+02  0.170566D+01
                11            12            13            14            15 
      1   0.784244D+01 -0.435356D+00  0.974324D+01 -0.594852D+00  0.546257D+01
      2  -0.696653D+01  0.315982D+01 -0.105784D+02  0.632601D+01 -0.108296D+01
      3  -0.875916D+00 -0.272446D+01  0.835173D+00 -0.573116D+01 -0.437961D+01
      4   0.100801D+01 -0.401179D+01  0.182197D+02 -0.588252D+01 -0.933755D+00
      5  -0.463715D+01  0.705844D+01  0.101021D+02 -0.839142D+00 -0.198966D+01
      6   0.275090D+00 -0.686202D+01 -0.513761D+01  0.406353D+01  0.902317D+01
                16            17            18            19            20 
      1  -0.725896D+01  0.566206D+01 -0.161586D+02 -0.351070D+00  0.455530D+01
      2  -0.735293D+00  0.551441D+01  0.636693D+00 -0.233096D+01 -0.207503D+01
      3   0.799425D+01 -0.111765D+02  0.155219D+02  0.268203D+01 -0.248027D+01
      4   0.136281D+02  0.170298D+01 -0.182324D+01  0.248244D+01 -0.430669D+00
      5  -0.122439D+02 -0.177299D+01 -0.523905D+01 -0.157463D+02  0.291983D+01
      6  -0.475481D+01  0.547237D+00 -0.495196D+01  0.313453D+01  0.504739D+01
                21            22            23            24            25 
      1  -0.263700D+02 -0.115839D+02 -0.517890D+01 -0.589390D+01  0.282345D+02
      2   0.678943D+01 -0.122457D+01  0.619352D+01 -0.184121D+00 -0.202172D+01
      3   0.195806D+02  0.128084D+02 -0.101462D+01  0.607802D+01 -0.262128D+02
      4   0.289176D+01  0.290963D+01 -0.217945D+01  0.379063D+01  0.524470D+01
      5  -0.244283D+01  0.132015D+01  0.209079D+01  0.582279D+01  0.114564D+02
      6   0.625219D+01  0.208151D+01  0.237549D+01  0.780491D+01  0.109113D+02
                26            27            28            29            30 
      1  -0.834138D+01  0.720109D+01  0.234081D+02 -0.181942D+01  0.177753D+01
      2   0.106382D+01 -0.203901D+01 -0.503701D+01  0.614774D+01  0.973810D+00
      3   0.727756D+01 -0.516208D+01 -0.183711D+02 -0.432832D+01 -0.275134D+01
      4   0.494970D+01  0.732547D+01  0.255779D+02  0.350362D+01 -0.211810D+01
      5   0.534922D+01 -0.402162D+01  0.311390D+01 -0.151161D+01  0.748986D+01
      6   0.269349D+01  0.106084D+02  0.501468D+01 -0.121638D+01  0.500236D+01
                31            32            33            34            35 
      1   0.941884D+00 -0.147437D+01  0.711860D+01 -0.810207D+01  0.953256D+01
      2   0.589654D+01  0.506376D+01 -0.205363D+01  0.200466D+01  0.339178D+01
      3  -0.683842D+01 -0.358938D+01 -0.506497D+01  0.609741D+01 -0.129243D+02
      4   0.164108D+02 -0.257304D+00  0.181910D+01  0.112406D+02  0.582821D+01
      5   0.112694D+02  0.158169D+00  0.180389D+01 -0.157439D+02  0.275111D+01
      6  -0.124779D+01  0.391432D+01  0.630472D+01 -0.130531D+01  0.656792D+00
                36            37            38            39            40 
      1  -0.191486D+02  0.850323D+01 -0.124233D+02  0.235765D+02  0.541522D+01
      2   0.236596D+01  0.105370D+00  0.122024D+02 -0.124099D+02  0.396996D+01
      3   0.167827D+02 -0.860860D+01  0.220909D+00 -0.111667D+02 -0.938518D+01
      4   0.468429D+00 -0.911139D+01 -0.222183D+01  0.462418D+01  0.177580D+02
      5  -0.334629D+01  0.116673D+02  0.225349D+01 -0.964884D+01 -0.144023D+01
      6  -0.762971D+01 -0.896610D+00 -0.619767D+01  0.534325D+01  0.964649D-01
                41            42            43            44            45 
      1  -0.106154D+02 -0.682798D+01 -0.224320D+02 -0.430295D+01  0.830508D+01
      2   0.171325D+02 -0.109128D+02  0.217787D+01 -0.407149D+01 -0.819254D+00
      3  -0.651708D+01  0.177408D+02  0.202541D+02  0.837444D+01 -0.748582D+01
      4   0.717916D+01 -0.288375D+01 -0.284888D+01 -0.404410D+01 -0.684931D+01
      5  -0.147632D+01 -0.261573D+01  0.667360D+01 -0.635262D+01  0.875042D+01
      6  -0.660059D+01  0.611249D+01 -0.112711D+02  0.155179D+01  0.933152D+01
                46            47            48            49            50 
      1  -0.638144D+01  0.100215D+02 -0.259565D+02 -0.747674D+01 -0.169283D+02
      2   0.256147D+01 -0.988052D+01  0.847375D+01 -0.470089D+01  0.232637D+02
      3   0.381996D+01 -0.140974D+00  0.174828D+02  0.121776D+02 -0.633540D+01
      4   0.914494D+01  0.124354D+01  0.493613D+01  0.553696D+01 -0.634234D+01
      5  -0.125780D+02  0.567191D+01 -0.366648D+01  0.637186D+01  0.178559D+01
      6   0.474857D+01  0.585898D+01 -0.452993D+01 -0.798528D+00 -0.642015D+01
                51            52            53            54            55 
      1   0.350550D+01  0.390972D+02 -0.331241D+01  0.791888D+01 -0.460436D+02
      2  -0.107851D+02 -0.107077D+02 -0.125927D+01 -0.477699D+01  0.152805D+02
      3   0.727964D+01 -0.283895D+02  0.457167D+01 -0.314189D+01  0.307631D+02
      4   0.897931D+00 -0.347367D+01 -0.446501D+00  0.760881D+01  0.452529D+01
      5   0.619740D+01  0.255793D+01  0.682750D+01 -0.641606D+01 -0.165941D+01
      6   0.401458D+01  0.119677D+02 -0.254192D+01  0.782400D+01  0.188667D+01
                56            57            58            59            60 
      1  -0.835093D+01 -0.295931D+01 -0.469601D+02 -0.317481D+02 -0.458985D+01
      2   0.593588D+01 -0.182299D+01  0.322101D+02  0.403175D+01  0.497742D+01
      3   0.241505D+01  0.478230D+01  0.147500D+02  0.277164D+02 -0.387569D+00
      4  -0.268872D+02 -0.241152D+00 -0.552578D+02  0.285266D+02 -0.125400D+02
      5  -0.444274D+00 -0.110846D+02 -0.456161D+01 -0.128392D+02 -0.832285D-01
      6   0.621465D+00  0.136494D+01 -0.135130D+01  0.432267D+01 -0.110413D+00
                61            62            63            64            65 
      1  -0.346304D+02 -0.806701D+01 -0.731999D+01 -0.565927D+02  0.159512D+02
      2   0.570851D+01  0.686054D+01  0.124479D+02  0.361932D+02 -0.258208D+01
      3   0.289219D+02  0.120647D+01 -0.512795D+01  0.203994D+02 -0.133691D+02
      4  -0.605233D+01 -0.234446D+02  0.744120D+01  0.177631D+02  0.312953D+02
      5  -0.254769D+02  0.478733D+01  0.411102D+02 -0.158428D+01  0.348976D+01
      6   0.392244D+01 -0.201131D+01 -0.691339D+01  0.115848D+01 -0.279974D+01
                66            67            68            69            70 
      1  -0.201935D+01  0.615218D+02  0.547231D+02 -0.644574D+00  0.249691D+02
      2  -0.162385D+01 -0.267279D+02 -0.298940D+02  0.253953D+01 -0.908219D+01
      3   0.364319D+01 -0.347939D+02 -0.248291D+02 -0.189496D+01 -0.158870D+02
      4   0.308145D+01  0.513444D+02 -0.168893D+02  0.173091D+02  0.697553D+01
      5   0.187657D+02  0.786025D+01  0.194992D+02  0.308410D+01  0.390638D+02
      6   0.357801D+01  0.359926D+01  0.548726D+01 -0.116322D+01  0.334800D+01
                71            72            73            74            75 
      1   0.181641D+01  0.359180D+02  0.556363D+02 -0.899112D+01 -0.749786D+01
      2   0.415417D+01 -0.103579D+02 -0.385838D+02 -0.723113D+01 -0.479296D+00
      3  -0.597058D+01 -0.255602D+02 -0.170525D+02  0.162222D+02  0.797715D+01
      4   0.229974D+02  0.574396D+01 -0.648153D+01 -0.320333D+02 -0.880483D+01
      5   0.479810D+01 -0.611457D+02 -0.720671D+01 -0.663390D+01 -0.131097D+02
      6   0.565151D+01 -0.719180D+01 -0.759377D+01 -0.261576D+01 -0.977493D+01
                76            77            78            79            80 
      1  -0.106357D+02 -0.342992D+02  0.355866D+01 -0.141118D+02  0.245841D+01
      2  -0.785032D+01  0.136602D+02 -0.124832D+02 -0.127857D+01 -0.155923D+02
      3   0.184860D+02  0.206391D+02  0.892450D+01  0.153904D+02  0.131339D+02
      4  -0.383228D+02 -0.129191D+02 -0.218881D+02 -0.881966D+01 -0.325532D+02
      5  -0.679230D+01 -0.213456D+02 -0.796585D+01 -0.218435D+02 -0.163108D+02
      6  -0.576976D+01 -0.178932D+02 -0.422796D+01 -0.115243D+02 -0.972482D+01
                81            82            83            84            85 
      1  -0.859644D+01  0.645125D+02 -0.198338D+02 -0.614851D+01 -0.354567D+02
      2   0.828814D+01 -0.347302D+02  0.945560D+01  0.142269D+01  0.166504D+02
      3   0.308304D+00 -0.297824D+02  0.103782D+02  0.472582D+01  0.188063D+02
      4  -0.213036D+02 -0.231799D+02 -0.404779D+02 -0.665012D+01 -0.658150D+02
      5   0.421791D+02 -0.100381D+02 -0.716046D+01 -0.327061D+02 -0.115657D+02
      6   0.210638D+02 -0.182867D+01 -0.495731D+01 -0.207572D+01 -0.989077D+01
                86            87            88            89            90 
      1  -0.582749D+02 -0.689873D+01 -0.190693D+02 -0.672723D+01 -0.467628D+02
      2   0.286076D+02  0.242606D+01  0.537090D+01  0.227383D+01  0.262106D+02
      3   0.296673D+02  0.447267D+01  0.136984D+02  0.445341D+01  0.205522D+02
      4   0.250297D+02 -0.429536D+02 -0.110892D+02 -0.418996D+02 -0.534815D+01
      5  -0.462044D+02 -0.451927D+01 -0.567062D+02 -0.418903D+01  0.524078D+02
      6   0.244738D+00 -0.501655D+01 -0.388163D+01 -0.570295D+01  0.148346D+01
                91            92            93            94            95 
      1   0.818704D+01 -0.289684D+01 -0.974461D+00 -0.112996D+02 -0.196000D+02
      2  -0.945252D+01 -0.287398D+01 -0.125771D+01  0.672096D+01  0.618832D+01
      3   0.126549D+01  0.577082D+01  0.223217D+01  0.457863D+01  0.134117D+02
      4  -0.207851D+02 -0.211355D+02 -0.991587D+01 -0.501728D+02  0.206163D+02
      5  -0.739722D+01 -0.907893D+01 -0.102494D+02 -0.159851D+02 -0.149895D+01
      6  -0.664375D+01 -0.254624D+01 -0.497650D+01 -0.282116D+01 -0.684009D+01
                96            97            98            99           100 
      1  -0.724214D+01 -0.178828D+02 -0.100723D+02 -0.219120D+01 -0.520737D+01
      2   0.374797D+00 -0.815397D-02 -0.187089D+01  0.804412D+01  0.819237D+00
      3   0.686735D+01  0.178910D+02  0.119431D+02 -0.585292D+01  0.438814D+01
      4  -0.127303D+01 -0.231653D+02 -0.169742D+02 -0.178786D+02  0.146409D+02
      5  -0.143565D+02 -0.160437D+02 -0.169010D+02  0.316134D+02 -0.173290D+02
      6  -0.412486D+01 -0.921225D+01 -0.283963D+01  0.910466D+01  0.564587D+01
               101           102           103           104           105 
      1   0.635426D+01 -0.848345D+01  0.220714D+02  0.373576D+01  0.101756D+02
      2  -0.596727D+00  0.574886D+01 -0.177323D+02  0.626815D+01 -0.292325D+01
      3  -0.575753D+01  0.273458D+01 -0.433909D+01 -0.100039D+02 -0.725237D+01
      4  -0.824836D+00  0.844054D+01  0.314030D+01 -0.260685D+02 -0.364943D+01
      5   0.779528D+01 -0.351608D+01  0.834093D+01 -0.335692D+01  0.259956D+02
      6  -0.567148D+01  0.629780D+01 -0.120143D+01 -0.113912D+01 -0.156484D+02
               106           107           108           109           110 
      1  -0.285130D+02  0.124213D+02 -0.618380D+01  0.457792D+02 -0.140608D+02
      2   0.100502D+02  0.467735D+01  0.368651D+01 -0.219181D+02  0.461434D+01
      3   0.184628D+02 -0.170986D+02  0.249729D+01 -0.238611D+02  0.944649D+01
      4   0.265665D+02 -0.227674D+02  0.240758D+02 -0.265408D+02  0.204553D+02
      5  -0.213669D+02  0.220857D+02 -0.233016D+02  0.327203D+02 -0.702009D+01
      6   0.124008D+02 -0.183283D+02  0.529907D+01 -0.115418D+02  0.429197D+01
               111           112           113           114           115 
      1   0.249913D+02 -0.181153D+02  0.454709D+01 -0.193538D+01  0.462355D+02
      2  -0.148334D+02  0.390778D+01  0.635085D+01 -0.110568D+01 -0.219294D+02
      3  -0.101579D+02  0.142075D+02 -0.108979D+02  0.304106D+01 -0.243061D+02
      4  -0.110315D+02  0.256696D+02 -0.215059D+02  0.181928D+02 -0.289466D+02
      5   0.227507D+02 -0.127578D+02  0.176045D+02 -0.204044D+02  0.376050D+02
      6  -0.759040D+01  0.604361D+01 -0.119370D+02  0.176258D+02 -0.115767D+02
               116           117           118           119           120 
      1  -0.612989D+01  0.116264D+02 -0.403733D-01 -0.101389D+02 -0.131496D+02
      2  -0.381145D+01 -0.153445D+02 -0.352549D+01  0.131948D+02  0.852197D+01
      3   0.994134D+01  0.371817D+01  0.356586D+01 -0.305584D+01  0.462765D+01
      4   0.352780D+02 -0.204464D+02  0.102842D+01 -0.874657D+01  0.284496D+01
      5  -0.189218D+02  0.598102D+02 -0.859241D+01 -0.183465D+01  0.600765D+01
      6   0.168632D+02 -0.273003D+02  0.345031D+01  0.563853D+01  0.104554D+01
               121           122           123           124           125 
      1  -0.632827D+01 -0.544204D+01 -0.581175D+01 -0.147056D+02 -0.757111D+01
      2   0.157263D+02 -0.196719D+02  0.140046D+01  0.821430D+01  0.608426D+01
      3  -0.939802D+01  0.251140D+02  0.441129D+01  0.649130D+01  0.148685D+01
      4  -0.137411D+02  0.525752D+02 -0.117154D+01  0.132391D+02 -0.157300D+02
      5   0.861678D+00 -0.412403D+00 -0.491185D+01  0.184060D+02 -0.188253D+02
      6   0.327693D+01  0.536689D+00  0.105358D+02 -0.750912D+01  0.206917D+02
               126           127           128           129           130 
      1  -0.894181D+01 -0.109350D+01 -0.971501D-01  0.359982D+01 -0.294728D+01
      2  -0.695834D+01 -0.533531D+01 -0.133615D+01  0.563067D+01 -0.418073D+00
      3   0.159002D+02  0.642881D+01  0.143330D+01 -0.923049D+01  0.336535D+01
      4  -0.166996D+02  0.113089D+01  0.256256D+01 -0.916656D+00  0.124731D+01
      5  -0.346961D+02 -0.937200D+01 -0.265286D+01  0.123389D+02 -0.276509D+01
      6   0.235864D+02  0.167868D+00 -0.152302D+01 -0.542068D+00 -0.129164D+01
               131           132           133           134           135 
      1  -0.366404D+01  0.835337D+01  0.420490D+01  0.527632D+01 -0.250111D+02
      2  -0.385370D+00  0.326560D+01  0.688175D+01  0.200522D+01 -0.147373D+02
      3   0.404942D+01 -0.116190D+02 -0.110866D+02 -0.728154D+01  0.397485D+02
      4   0.117679D+01 -0.148485D+01 -0.185887D+01 -0.307880D+01  0.208275D+01
      5  -0.275639D+01  0.433316D+01  0.120814D+02  0.410676D+01 -0.192999D+02
      6  -0.293888D+01  0.218386D+01  0.990487D+00  0.543805D+01 -0.310945D+01
               136           137           138           139           140 
      1   0.334762D+01  0.498087D-01 -0.157832D+01  0.317157D+00 -0.205500D+01
      2  -0.568963D+01  0.105457D+01 -0.421800D+01  0.213067D+01 -0.237973D+00
      3   0.234200D+01 -0.110438D+01  0.579633D+01 -0.244783D+01  0.229298D+01
      4  -0.248881D+01  0.373424D+01 -0.135595D+01  0.251293D+01 -0.299426D+01
      5   0.114864D+02 -0.310518D+01  0.102379D+02 -0.458825D+01  0.335042D+01
      6  -0.571976D+00  0.164594D+01 -0.989014D+00  0.949349D+00 -0.278468D+01
               141           142           143           144           145 
      1   0.508019D+01 -0.438816D+01  0.422574D+01 -0.129637D+02 -0.290017D+01
      2   0.225717D+01 -0.529133D+01  0.103914D+01 -0.851406D+01 -0.304639D+01
      3  -0.733736D+01  0.967948D+01 -0.526488D+01  0.214778D+02  0.594657D+01
      4   0.151098D+01 -0.216959D+01  0.311805D+01 -0.262368D+01  0.551322D+01
      5  -0.597435D+01  0.125769D+02 -0.451486D+01  0.163432D+02 -0.973973D+01
      6   0.226960D+01 -0.193339D+01  0.473200D+01 -0.383211D+01 -0.594579D+01
               146           147           148           149           150 
      1  -0.175756D+01  0.566202D+01 -0.308348D+01 -0.498035D+01  0.949711D+01
      2   0.846871D-01  0.317673D+01 -0.515392D+00  0.848822D+00  0.693323D+00
      3   0.167287D+01 -0.883875D+01  0.359887D+01  0.413153D+01 -0.101904D+02
      4   0.381996D+01 -0.564045D+01  0.235692D+01  0.178340D+01 -0.300291D+01
      5  -0.371287D+01  0.126770D+02 -0.343838D+01 -0.277703D+01  0.439273D+01
      6  -0.346007D+01  0.643142D+01 -0.308981D+01 -0.541841D+01  0.906354D+01
               151           152           153           154           155 
      1   0.841039D+01  0.113852D+02 -0.310439D+02  0.238394D+01  0.252373D+01
      2   0.220541D+01 -0.262633D+01 -0.598347D+01 -0.315307D+01 -0.205839D+01
      3  -0.106158D+02 -0.875891D+01  0.370274D+02  0.769127D+00 -0.465345D+00
      4  -0.594932D+01 -0.530967D+01  0.838308D+01 -0.110879D+02  0.786155D+01
      5   0.114087D+02  0.567174D+01 -0.188154D+02  0.159337D+02 -0.637444D+01
      6   0.884234D+01  0.130125D+02 -0.242558D+02 -0.927029D+01  0.594130D+01
               156           157           158           159           160 
      1  -0.213583D+01  0.799752D+00 -0.396097D+01  0.564343D+01 -0.479684D+01
      2  -0.214220D+01  0.976111D+00  0.183183D+01  0.158913D+00 -0.242097D+01
      3   0.427804D+01 -0.177586D+01  0.212914D+01 -0.580234D+01  0.721781D+01
      4  -0.862612D+01  0.497559D+01 -0.556112D+01  0.613875D+01 -0.906647D+01
      5   0.144191D+02 -0.749053D+01  0.523610D+01 -0.850849D+01  0.156039D+02
      6  -0.914777D+01  0.578598D+01 -0.621495D+01  0.871933D+01 -0.108767D+02
               161           162           163           164           165 
      1   0.843421D+01 -0.163784D+02  0.817637D+01  0.267724D+00 -0.736556D+01
      2  -0.342698D+01 -0.261483D+01 -0.799555D+01 -0.488630D+00  0.653996D+01
      3  -0.500723D+01  0.189933D+02 -0.180821D+00  0.220906D+00  0.825598D+00
      4   0.751569D+01 -0.110184D+02 -0.189923D+01  0.716244D+01  0.414700D+01
      5  -0.810781D+01  0.207923D+02 -0.138718D+02  0.280731D+01  0.152476D+02
      6   0.119496D+02 -0.188481D+02  0.208971D+01 -0.143509D+01 -0.205818D+01
               166           167           168           169           170 
      1   0.901753D+01  0.162801D+01 -0.203495D+01 -0.146206D+02 -0.302178D+01
      2  -0.568913D+01 -0.483310D+00  0.149066D+01  0.137622D+02  0.340637D+00
      3  -0.332840D+01 -0.114470D+01  0.544291D+00  0.858472D+00  0.268114D+01
      4   0.737328D+01 -0.394565D+01 -0.445752D+01  0.616901D+01 -0.849419D+01
      5  -0.990217D+00 -0.477385D+01  0.202879D+01  0.229483D+02 -0.867746D+01
      6  -0.161476D+01  0.137323D+01  0.529521D+01 -0.542244D+01  0.646035D+01
               171           172           173           174           175 
      1  -0.550663D+01  0.229574D+02 -0.929550D+01  0.381366D+01 -0.152414D+02
      2  -0.139504D+02 -0.454614D+01 -0.243261D+00 -0.905579D+00 -0.323284D+01
      3   0.194571D+02 -0.184112D+02  0.953876D+01 -0.290808D+01  0.184742D+02
      4  -0.114893D+02 -0.226575D+02  0.254215D+02 -0.153001D+01  0.377470D+02
      5  -0.455777D+02  0.449780D+01 -0.359923D+00  0.490325D+01 -0.105484D+01
      6   0.122396D+02 -0.104685D+01 -0.292992D+00 -0.105685D+01  0.575574D+00
               176           177           178           179           180 
      1   0.537132D+00  0.381994D+00  0.211432D+02  0.712191D+00  0.130705D+01
      2   0.216952D+02 -0.261326D+01 -0.634922D+01 -0.434399D+01 -0.810191D-01
      3  -0.222323D+02  0.223126D+01 -0.147940D+02  0.363180D+01 -0.122603D+01
      4  -0.533792D+02  0.614527D+01 -0.103492D+02  0.166889D+02 -0.906651D+01
      5   0.557441D+01 -0.560937D+01  0.889360D+01 -0.794560D+01  0.225156D+01
      6  -0.110309D+01  0.456357D+01 -0.358941D+01  0.565595D+01 -0.213866D+01
               181           182           183           184           185 
      1  -0.124423D+01 -0.297913D+01  0.107431D+02 -0.966551D+01 -0.115763D+02
      2  -0.310528D+01  0.504151D+00 -0.292983D+01  0.431249D+01  0.545990D+01
      3   0.434951D+01  0.247498D+01 -0.781331D+01  0.535301D+01  0.611643D+01
      4  -0.478297D+01 -0.405727D+01  0.125794D+00 -0.281568D+01  0.117247D+01
      5   0.704757D+01 -0.223503D+00 -0.208713D+01  0.107346D+01  0.407116D+01
      6   0.125381D+01  0.273271D+00 -0.158714D+01 -0.562290D+00 -0.441622D-01
               186           187           188           189           190 
      1   0.160440D-01  0.211854D+02 -0.538358D+00 -0.239216D+02 -0.563452D+02
      2   0.735908D+00 -0.942611D+01  0.134675D+01 -0.872281D+01  0.324915D+02
      3  -0.751952D+00 -0.117593D+02 -0.808395D+00  0.326444D+02  0.238537D+02
      4   0.359098D+01  0.167627D+01  0.641081D+01 -0.211369D+01 -0.165740D+02
      5  -0.889587D+00 -0.878319D+00 -0.669034D+00  0.530563D+02  0.342060D+01
      6   0.711130D+01 -0.253993D+00  0.323153D+01  0.674323D+01  0.273396D+01
               191           192           193           194           195 
      1   0.155452D+02  0.264792D+01  0.679554D+01 -0.958466D+01 -0.866800D+00
      2  -0.154141D+02 -0.126214D+01 -0.751850D+01  0.948399D+01  0.171749D+01
      3  -0.131061D+00 -0.138578D+01  0.722953D+00  0.100664D+00 -0.850689D+00
      4  -0.459458D+01  0.252502D+01  0.299159D+01 -0.201185D+00  0.210896D+01
      5   0.124125D+01 -0.168236D+01 -0.672685D-01  0.250718D+01  0.892597D+00
      6   0.220926D+00 -0.336434D+01  0.680331D+00  0.126484D+01  0.216942D+01
               196           197           198           199           200 
      1   0.450798D+01 -0.287954D+01 -0.543148D+01  0.190685D+01  0.213109D+01
      2  -0.163948D+01  0.343510D+01  0.225869D+01 -0.151037D+01  0.127064D+01
      3  -0.286849D+01 -0.555557D+00  0.317279D+01 -0.396482D+00 -0.340174D+01
      4   0.105769D+01  0.385849D+01  0.225712D+01  0.611993D+01  0.953055D+01
      5   0.147882D+01  0.324889D+01 -0.333927D+01 -0.101625D+02 -0.353009D+01
      6  -0.208863D+01  0.387285D+01 -0.130035D+01 -0.376984D+01 -0.191695D+01
               201           202           203           204           205 
      1  -0.689994D+01 -0.778075D+00 -0.751725D+00  0.275579D+01 -0.106023D+02
      2   0.536419D+01  0.246605D+01  0.225291D+01 -0.275550D+01  0.761278D+01
      3   0.153575D+01 -0.168798D+01 -0.150118D+01 -0.289774D-03  0.298951D+01
      4  -0.545390D+01  0.623147D+01  0.701010D+01 -0.504784D+01 -0.914034D+01
      5   0.141117D+02 -0.424017D+00 -0.539069D+01  0.307727D+01  0.160222D+02
      6   0.539847D+01 -0.159470D+01 -0.311092D+01  0.785173D+01  0.758439D+01
               206           207           208           209           210 
      1   0.612829D+01 -0.711603D+01  0.141949D+02  0.101332D+02  0.571895D+01
      2  -0.562914D+01 -0.828528D+01  0.229305D+01  0.801608D+01  0.676122D-01
      3  -0.499150D+00  0.154013D+02 -0.164879D+02 -0.181492D+02 -0.578657D+01
      4  -0.141647D+02  0.174089D+02  0.283105D+02  0.357446D+02  0.911285D+01
      5   0.151650D+02 -0.504350D+02  0.837544D+01  0.650569D+01  0.927285D+01
      6   0.129082D+02 -0.291174D+02  0.540696D+01  0.507447D+01  0.633797D+01
               211           212           213           214           215 
      1   0.864388D+01 -0.208328D+01 -0.887328D+00  0.100817D+02 -0.150552D+01
      2   0.925832D+01  0.315014D+02  0.807992D+01 -0.260368D+00  0.124218D+02
      3  -0.179022D+02 -0.294181D+02 -0.719259D+01 -0.982130D+01 -0.109162D+02
      4   0.351755D+02  0.574927D+02  0.158318D+02  0.172741D+02  0.287117D+02
      5   0.692120D+01  0.142262D+02  0.105525D+02  0.118255D+02  0.148660D+02
      6   0.586118D+01  0.126048D+02  0.101238D+02  0.792383D+01  0.128841D+02
               216           217           218           219           220 
      1   0.128535D+01  0.256710D+02  0.133362D+01 -0.187984D+02  0.406547D+01
      2   0.258612D+01 -0.153274D+02 -0.564960D+00  0.107510D+02 -0.181016D+01
      3  -0.387147D+01 -0.103436D+02 -0.768655D+00  0.804741D+01 -0.225531D+01
      4   0.168328D+02  0.209951D+01  0.825726D+01  0.374970D+00  0.151886D+02
      5   0.918472D+01 -0.196778D+02  0.721445D+00  0.237440D+02 -0.102261D+00
      6   0.820685D+01 -0.312498D+00  0.360237D+00  0.332750D+00 -0.108679D+01
               221           222           223           224           225 
      1   0.104741D+02  0.524422D+00 -0.490808D+02  0.184209D+01  0.299057D+02
      2  -0.534478D+01 -0.544297D+00  0.293927D+02 -0.154551D+01 -0.243683D+02
      3  -0.512929D+01  0.198745D-01  0.196881D+02 -0.296571D+00 -0.553735D+01
      4  -0.183558D+01 -0.485235D+01  0.149453D+00 -0.109298D+02  0.928121D+00
      5  -0.461909D+01  0.152360D+01  0.446764D+02 -0.650299D-01 -0.720727D+02
      6  -0.584642D+00  0.432423D+01  0.168465D+01  0.418914D+01 -0.207431D+01
               226           227           228           229           230 
      1   0.252756D+02 -0.199715D+02  0.985773D+01 -0.446987D+02  0.312922D+02
      2  -0.119382D+02  0.944405D+01 -0.522596D+01  0.216475D+02 -0.100111D+02
      3  -0.133373D+02  0.105274D+02 -0.463177D+01  0.230511D+02 -0.212810D+02
      4  -0.205437D+02  0.241082D+02 -0.677738D+01  0.429021D+02 -0.661488D+02
      5   0.114095D+02 -0.749853D+01  0.113930D+02 -0.144847D+02  0.240882D+02
      6  -0.241440D+01  0.187032D+01 -0.871346D+00  0.446810D+01 -0.684449D+01
               231           232           233           234           235 
      1  -0.893829D+01  0.207347D+02 -0.780117D+01  0.138466D+02  0.611347D+02
      2   0.532553D+01 -0.116182D+02  0.487002D+01 -0.973459D+01 -0.295928D+02
      3   0.361276D+01 -0.911647D+01  0.293116D+01 -0.411197D+01 -0.315420D+02
      4   0.226218D+02 -0.115125D+02  0.245735D+02 -0.143654D+02  0.337349D+02
      5  -0.190676D+02  0.214803D+02 -0.156016D+02  0.128919D+02  0.248817D+02
      6   0.569442D+01 -0.245043D+01  0.617071D+01 -0.413931D+01  0.520095D+01
               236           237           238           239           240 
      1   0.280430D+02  0.198500D+02  0.607141D+02  0.313390D+02  0.142770D+02
      2  -0.126881D+02 -0.105338D+02 -0.272786D+02 -0.959752D+01 -0.709708D+01
      3  -0.153548D+02 -0.931621D+01 -0.334355D+02 -0.217415D+02 -0.717995D+01
      4   0.280216D+02  0.123069D+02  0.476595D+02  0.420184D+02  0.218910D+02
      5   0.127733D+02  0.202326D+02  0.228626D+02  0.224656D+02  0.208831D+02
      6   0.297367D+01  0.277935D+01  0.704599D+01  0.691609D+01  0.631036D+01
               241           242           243           244           245 
      1   0.391621D+02  0.125857D+02  0.218809D+02  0.734715D+00  0.332354D+01
      2  -0.209892D+02 -0.620337D+01 -0.142401D+02 -0.422046D+01 -0.159752D+01
      3  -0.181729D+02 -0.638236D+01 -0.764076D+01  0.348574D+01 -0.172603D+01
      4   0.199429D+02  0.240139D+02  0.163440D+02  0.615117D+01  0.582743D+01
      5   0.340157D+02  0.168662D+02  0.206676D+02 -0.121739D+02 -0.153370D+01
      6   0.600228D+01  0.651189D+01  0.580344D+01 -0.376833D+01 -0.381922D+00
               246           247           248           249           250 
      1  -0.701994D+01  0.366655D+01  0.386009D+00  0.200817D+01 -0.855003D+01
      2   0.539315D+01 -0.161358D+01  0.189287D-01 -0.451754D+00  0.908334D+01
      3   0.162679D+01 -0.205298D+01 -0.404937D+00 -0.155642D+01 -0.533315D+00
      4  -0.253327D+01  0.997028D+01  0.472311D+01 -0.734652D+01 -0.482703D+01
      5   0.127778D+02 -0.212740D+01 -0.741345D+01  0.929304D+01  0.178831D+02
      6   0.231594D+01 -0.171705D+01 -0.383781D+01  0.741035D+01  0.349367D+01
               251           252           253           254           255 
      1   0.248309D+01 -0.547946D+01 -0.929383D+02 -0.154387D+02  0.821034D+01
      2   0.576674D+00 -0.134504D+02  0.464396D+02  0.178422D+02 -0.538909D+01
      3  -0.305976D+01  0.189299D+02  0.464987D+02 -0.240358D+01 -0.282125D+01
      4  -0.107534D+02  0.100879D+02 -0.234851D+02  0.271284D+02  0.963386D+01
      5   0.869840D+01 -0.423853D+02  0.109605D+02  0.613614D+01  0.111841D+02
      6   0.627503D+01 -0.123313D+02  0.918094D+01  0.419066D+01  0.441789D+01
               256           257           258           259           260 
      1   0.123225D+02  0.381351D+02  0.343566D+00  0.289905D+02  0.138893D+01
      2   0.235812D+01 -0.377262D+02  0.203052D+00 -0.100271D+02  0.472687D+01
      3  -0.146806D+02 -0.408870D+00 -0.546618D+00 -0.189634D+02 -0.611581D+01
      4   0.388862D+02 -0.148497D+02  0.122984D+02  0.234931D+02  0.220391D+02
      5   0.125096D+02  0.152727D+02  0.141431D+02  0.169202D+02  0.122304D+02
      6   0.831215D+01  0.545963D+01  0.781232D+01  0.914945D+01  0.773468D+01
               261           262           263           264           265 
      1   0.138305D+02  0.510096D+01 -0.805637D+01 -0.180422D+01 -0.385898D+01
      2   0.609246D+01  0.365324D+01 -0.334157D+01 -0.259920D+00 -0.982027D+01
      3  -0.199229D+02 -0.875421D+01  0.113979D+02  0.206414D+01  0.136793D+02
      4   0.158582D+02 -0.159030D+02  0.236722D+02  0.510942D+01  0.300482D+02
      5  -0.276902D+02 -0.563260D+01  0.647204D+01  0.432819D+01  0.784505D+01
      6  -0.873272D+01  0.390874D+01 -0.451712D+01 -0.179460D+01 -0.636178D+01
               266           267           268           269           270 
      1  -0.124285D+02 -0.360864D+01  0.736816D+00 -0.204040D+00 -0.177850D+01
      2   0.431648D+02  0.617127D+01  0.284832D+01 -0.796771D+01  0.192547D+01
      3  -0.307363D+02 -0.256263D+01 -0.358514D+01  0.817175D+01 -0.146976D+00
      4  -0.731233D+02 -0.148443D+02 -0.488450D+01  0.114927D+02 -0.405671D+01
      5  -0.172464D+02 -0.125262D+02  0.224801D+01 -0.385351D+01 -0.343433D+01
      6   0.193957D+02  0.954407D+01 -0.138713D+01  0.452575D+01  0.237863D+01
               271           272           273           274           275 
      1   0.136217D+03  0.158124D+02 -0.388184D+01 -0.273544D+01  0.717879D+01
      2  -0.628661D+02 -0.318394D+01  0.150340D+01  0.461905D+01  0.194007D-01
      3  -0.733509D+02 -0.126284D+02  0.237845D+01 -0.188362D+01 -0.719819D+01
      4   0.541576D+02  0.218638D+02  0.199561D+00  0.139996D+02  0.759489D+01
      5   0.481575D+01  0.154690D+01  0.132137D+02 -0.697564D+00 -0.165398D+01
      6  -0.506749D+00  0.146066D+01  0.421660D+01  0.102986D+00 -0.665844D-01
               276           277           278           279           280 
      1   0.135550D+00 -0.183501D+02 -0.204822D+01  0.984213D+01  0.713015D+00
      2  -0.284480D+00  0.766715D+01 -0.582488D+00 -0.686798D+01  0.297356D+01
      3   0.148930D+00  0.106829D+02  0.263071D+01 -0.297416D+01 -0.368658D+01
      4  -0.184082D+01 -0.921752D+01 -0.590399D+01  0.307256D+01  0.420893D+01
      5  -0.100705D+01  0.143704D+02  0.108486D+01 -0.340250D+00 -0.226951D+01
      6   0.188297D+00  0.401853D+01  0.980695D+00 -0.194489D+00 -0.968915D+00
               281           282           283           284           285 
      1   0.153788D+02 -0.114040D+01  0.114535D+02 -0.343137D+02 -0.211653D+00
      2  -0.164200D+02  0.883210D+00 -0.540053D+01  0.554075D+02 -0.845395D+00
      3   0.104115D+01  0.257185D+00 -0.605296D+01 -0.210938D+02  0.105705D+01
      4  -0.910972D+01 -0.215773D+01  0.856191D+01  0.523992D+02 -0.438770D+00
      5  -0.256683D+00 -0.273906D+01  0.142215D+01 -0.311688D+01  0.569556D+01
      6  -0.153326D+01 -0.238449D+01 -0.304804D+00  0.428438D+01  0.652519D+01
               286           287           288           289           290 
      1  -0.522295D+01  0.205677D+01 -0.579120D+01  0.717334D+01  0.157937D+01
      2   0.147717D+01 -0.569049D+01  0.460716D+01 -0.636716D+01 -0.213388D+01
      3   0.374578D+01  0.363373D+01  0.118404D+01 -0.806181D+00  0.554512D+00
      4  -0.438145D+01 -0.100734D+02  0.352218D+01  0.546992D+00 -0.277447D+01
      5   0.443656D+00  0.472933D+01  0.557591D+00  0.382127D+01 -0.126140D+01
      6  -0.489218D+00  0.690296D+01 -0.337016D+00  0.269145D+00 -0.140569D+01
               291           292           293           294           295 
      1   0.585275D+01 -0.531790D+01 -0.607496D+01 -0.649512D+00  0.112695D+02
      2  -0.243635D+01  0.212480D+01  0.362030D+01  0.312768D+01 -0.687025D+01
      3  -0.341640D+01  0.319310D+01  0.245466D+01 -0.247817D+01 -0.439922D+01
      4   0.156769D+00 -0.325422D+01 -0.206760D+01  0.234707D+01  0.663355D+01
      5   0.689100D+00 -0.244835D+01  0.211868D+01 -0.568277D+01  0.101489D+02
      6  -0.107374D+01 -0.798136D+00  0.323255D+00  0.148192D+01  0.211941D+01
               296           297 
      1  -0.109464D+01 -0.120910D+02
      2   0.347394D+01 -0.134834D+02
      3  -0.237931D+01  0.255744D+02
      4   0.101876D+02  0.637283D+00
      5   0.179122D+01  0.457222D+02
      6   0.464067D+01  0.181930D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 13:28:08 2021, MaxMem=  6442450944 cpu:           96642.5 elap:           12725.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20218 -19.14625 -10.32343 -10.21180 -10.20093
 Alpha  occ. eigenvalues --  -10.19481 -10.19129 -10.18991 -10.18860 -10.18855
 Alpha  occ. eigenvalues --  -10.18776 -10.18362 -10.18241 -10.17403 -10.17004
 Alpha  occ. eigenvalues --   -1.12104  -1.03184  -0.87511  -0.82911  -0.80389
 Alpha  occ. eigenvalues --   -0.75439  -0.75043  -0.69004  -0.68777  -0.67566
 Alpha  occ. eigenvalues --   -0.62046  -0.60766  -0.57750  -0.56422  -0.51880
 Alpha  occ. eigenvalues --   -0.50809  -0.49249  -0.48049  -0.46336  -0.45433
 Alpha  occ. eigenvalues --   -0.44848  -0.44304  -0.43342  -0.42522  -0.42014
 Alpha  occ. eigenvalues --   -0.41148  -0.39359  -0.38736  -0.38356  -0.37125
 Alpha  occ. eigenvalues --   -0.36950  -0.36500  -0.34977  -0.34345  -0.33463
 Alpha  occ. eigenvalues --   -0.33363  -0.32907  -0.32615  -0.28864  -0.26070
 Alpha  occ. eigenvalues --   -0.24520
 Alpha virt. eigenvalues --   -0.02609  -0.02062  -0.01371  -0.00671  -0.00046
 Alpha virt. eigenvalues --    0.00120   0.00622   0.01131   0.01329   0.01842
 Alpha virt. eigenvalues --    0.02609   0.03035   0.03460   0.03677   0.04042
 Alpha virt. eigenvalues --    0.04260   0.05265   0.05604   0.05797   0.06412
 Alpha virt. eigenvalues --    0.06587   0.07454   0.07763   0.08083   0.08270
 Alpha virt. eigenvalues --    0.08486   0.08572   0.08906   0.09102   0.09548
 Alpha virt. eigenvalues --    0.09743   0.09818   0.10043   0.10449   0.10826
 Alpha virt. eigenvalues --    0.11077   0.11177   0.11330   0.11837   0.12306
 Alpha virt. eigenvalues --    0.12562   0.12625   0.13032   0.13203   0.13470
 Alpha virt. eigenvalues --    0.13857   0.13987   0.14568   0.14873   0.15144
 Alpha virt. eigenvalues --    0.15229   0.15473   0.15731   0.16316   0.16546
 Alpha virt. eigenvalues --    0.16823   0.17202   0.17733   0.18180   0.18670
 Alpha virt. eigenvalues --    0.19100   0.19352   0.19624   0.20277   0.20403
 Alpha virt. eigenvalues --    0.20781   0.20959   0.21674   0.22179   0.22769
 Alpha virt. eigenvalues --    0.22985   0.23153   0.23369   0.23563   0.23835
 Alpha virt. eigenvalues --    0.23943   0.24243   0.24600   0.25089   0.25356
 Alpha virt. eigenvalues --    0.25460   0.25722   0.25991   0.26580   0.26880
 Alpha virt. eigenvalues --    0.27150   0.27555   0.28244   0.28662   0.28756
 Alpha virt. eigenvalues --    0.28985   0.29485   0.29887   0.30299   0.30771
 Alpha virt. eigenvalues --    0.31581   0.31821   0.32383   0.32675   0.33018
 Alpha virt. eigenvalues --    0.33610   0.33712   0.34465   0.34725   0.34780
 Alpha virt. eigenvalues --    0.35401   0.35530   0.35910   0.36292   0.36404
 Alpha virt. eigenvalues --    0.36827   0.37320   0.37576   0.37858   0.38144
 Alpha virt. eigenvalues --    0.38287   0.38533   0.39387   0.39640   0.39705
 Alpha virt. eigenvalues --    0.39956   0.40373   0.41484   0.41816   0.42409
 Alpha virt. eigenvalues --    0.42816   0.43375   0.43635   0.43828   0.44293
 Alpha virt. eigenvalues --    0.44990   0.45387   0.45696   0.46009   0.46575
 Alpha virt. eigenvalues --    0.47018   0.47447   0.48115   0.48493   0.49188
 Alpha virt. eigenvalues --    0.49236   0.49919   0.50104   0.50984   0.51299
 Alpha virt. eigenvalues --    0.51444   0.52608   0.52832   0.52920   0.53393
 Alpha virt. eigenvalues --    0.53600   0.54161   0.55152   0.55286   0.55644
 Alpha virt. eigenvalues --    0.56015   0.56133   0.56362   0.57289   0.57442
 Alpha virt. eigenvalues --    0.57759   0.58279   0.58692   0.58948   0.59704
 Alpha virt. eigenvalues --    0.60075   0.60268   0.60991   0.61524   0.61976
 Alpha virt. eigenvalues --    0.62261   0.62664   0.62827   0.63184   0.64011
 Alpha virt. eigenvalues --    0.64236   0.64389   0.64796   0.65523   0.65537
 Alpha virt. eigenvalues --    0.66396   0.66559   0.67106   0.67713   0.67995
 Alpha virt. eigenvalues --    0.68577   0.68770   0.69262   0.70112   0.70282
 Alpha virt. eigenvalues --    0.70534   0.70991   0.71571   0.71984   0.72405
 Alpha virt. eigenvalues --    0.73214   0.73462   0.74377   0.74692   0.75280
 Alpha virt. eigenvalues --    0.75956   0.76196   0.76506   0.77279   0.78068
 Alpha virt. eigenvalues --    0.78100   0.78540   0.79253   0.79415   0.79853
 Alpha virt. eigenvalues --    0.80917   0.81421   0.81971   0.82370   0.82483
 Alpha virt. eigenvalues --    0.83627   0.84010   0.84571   0.85147   0.86254
 Alpha virt. eigenvalues --    0.86420   0.86870   0.87285   0.88179   0.89153
 Alpha virt. eigenvalues --    0.89484   0.90218   0.90586   0.91777   0.92504
 Alpha virt. eigenvalues --    0.93585   0.94312   0.94769   0.95926   0.96580
 Alpha virt. eigenvalues --    0.98180   0.98270   0.99129   0.99318   1.01074
 Alpha virt. eigenvalues --    1.01614   1.02550   1.02735   1.03379   1.05001
 Alpha virt. eigenvalues --    1.06095   1.07308   1.07681   1.08705   1.09019
 Alpha virt. eigenvalues --    1.10246   1.10943   1.12013   1.13459   1.13763
 Alpha virt. eigenvalues --    1.14622   1.16155   1.16565   1.17610   1.18326
 Alpha virt. eigenvalues --    1.18822   1.19317   1.20417   1.21794   1.22261
 Alpha virt. eigenvalues --    1.23851   1.25617   1.26341   1.27696   1.29955
 Alpha virt. eigenvalues --    1.31529   1.32959   1.33402   1.34980   1.35621
 Alpha virt. eigenvalues --    1.36416   1.36787   1.38162   1.39009   1.39622
 Alpha virt. eigenvalues --    1.40201   1.42714   1.44142   1.44562   1.46118
 Alpha virt. eigenvalues --    1.46487   1.47061   1.48170   1.48725   1.49311
 Alpha virt. eigenvalues --    1.49721   1.49935   1.51813   1.52546   1.52870
 Alpha virt. eigenvalues --    1.53989   1.55303   1.55802   1.56812   1.57216
 Alpha virt. eigenvalues --    1.57832   1.58431   1.60105   1.60722   1.62356
 Alpha virt. eigenvalues --    1.63272   1.63616   1.63771   1.65070   1.66083
 Alpha virt. eigenvalues --    1.67452   1.67953   1.68535   1.69514   1.70166
 Alpha virt. eigenvalues --    1.71119   1.71725   1.72165   1.73034   1.73750
 Alpha virt. eigenvalues --    1.74035   1.75189   1.75637   1.76034   1.76729
 Alpha virt. eigenvalues --    1.78384   1.80201   1.80632   1.82061   1.82111
 Alpha virt. eigenvalues --    1.83071   1.84174   1.84645   1.85501   1.86788
 Alpha virt. eigenvalues --    1.87621   1.88207   1.89094   1.90007   1.90310
 Alpha virt. eigenvalues --    1.90670   1.91633   1.92274   1.92839   1.93755
 Alpha virt. eigenvalues --    1.94861   1.96094   1.96338   1.97251   1.98387
 Alpha virt. eigenvalues --    1.98960   1.99649   2.00375   2.01519   2.02899
 Alpha virt. eigenvalues --    2.03405   2.04213   2.05127   2.06343   2.07403
 Alpha virt. eigenvalues --    2.08792   2.09796   2.10231   2.10650   2.12500
 Alpha virt. eigenvalues --    2.12729   2.13310   2.14802   2.15086   2.15811
 Alpha virt. eigenvalues --    2.16617   2.17911   2.18359   2.20026   2.21167
 Alpha virt. eigenvalues --    2.21791   2.23427   2.24325   2.25260   2.25941
 Alpha virt. eigenvalues --    2.26896   2.28712   2.29558   2.30810   2.30978
 Alpha virt. eigenvalues --    2.31998   2.33279   2.34598   2.35608   2.37155
 Alpha virt. eigenvalues --    2.38519   2.39155   2.40886   2.42620   2.45283
 Alpha virt. eigenvalues --    2.46332   2.47823   2.47965   2.48417   2.50147
 Alpha virt. eigenvalues --    2.52759   2.53306   2.55244   2.56469   2.57426
 Alpha virt. eigenvalues --    2.59289   2.60203   2.60337   2.60996   2.64478
 Alpha virt. eigenvalues --    2.67270   2.69428   2.69799   2.71570   2.72376
 Alpha virt. eigenvalues --    2.74348   2.76360   2.78811   2.81149   2.81755
 Alpha virt. eigenvalues --    2.83834   2.86471   2.87448   2.89065   2.90230
 Alpha virt. eigenvalues --    2.94547   3.02701   3.06712   3.08114   3.10078
 Alpha virt. eigenvalues --    3.12535   3.19532   3.27515   3.31871   3.35354
 Alpha virt. eigenvalues --    3.37157   3.42095   3.42495   3.44723   3.46316
 Alpha virt. eigenvalues --    3.49744   3.53243   3.58558   3.64195   3.69633
 Alpha virt. eigenvalues --    3.72751   3.83763   3.90535   4.01387   4.77396
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   44.950595 -13.923567 -14.965455   4.709006  -6.020782  -5.472039
     2  C  -13.923567  30.162982   5.023593  -8.159725  -3.366714  -3.802594
     3  C  -14.965455   5.023593  44.590366 -12.284955  -5.571275  -5.687832
     4  C    4.709006  -8.159725 -12.284955  33.572034  -4.811599  -3.161359
     5  C   -6.020782  -3.366714  -5.571275  -4.811599  32.766149  -6.188878
     6  C   -5.472039  -3.802594  -5.687832  -3.161359  -6.188878  31.615803
     7  C   -1.828186  -2.397908  -0.408221  -0.865182  -0.865746   0.712448
     8  C   -0.331440   0.628021   0.008278  -0.147230  -0.161038  -0.330247
     9  C    0.750531  -0.450128  -0.124900   0.040011  -0.254212  -0.245919
    10  C   -0.325980  -0.054458  -0.010108  -0.001989   0.167572   0.093508
    11  C    0.249552  -0.295197  -0.414841  -6.841823   0.920417  -0.409401
    12  C    0.175279   0.041226  -1.080878   1.096189  -0.308883  -0.272207
    13  O   -0.071191  -0.007596   0.184519  -0.119695   0.022645   0.013334
    14  O   -0.049775   0.013961   0.112453  -0.070252   0.016240   0.031341
    15  H   -6.156438   3.667592   1.828861  -1.677485   0.158242   0.665595
    16  H    2.274542  -1.281482  -5.831284   2.365303   0.538556   0.045922
    17  H   -0.286342   0.220521   0.016780   0.389825  -3.614738   1.849557
    18  H   -0.119173   0.124510  -0.215188   0.335829   2.033400  -3.055657
    19  H    1.576402  -0.558807   0.275118   0.266374  -0.379429  -0.841722
    20  H   -0.322320  -0.396567  -0.053190   0.022694   0.342277   0.533659
    21  H    0.074651  -0.128899   0.082551   0.065629   0.055586   0.119611
    22  H    0.004185   0.004175  -0.066774   0.023420   0.039298   0.020170
    23  H    0.241300  -0.077732   0.039164   0.043732  -0.021110  -0.031549
    24  H   -0.150139   0.075247   0.006392  -0.021106   0.033404   0.024874
    25  H   -0.059971   0.054201   0.025480  -0.004897   0.018976   0.056866
    26  H   -0.003443   0.241731  -0.014797   0.020022   0.019892   0.009025
    27  H    0.023423  -0.145472  -0.005317  -0.007810  -0.013030  -0.046992
    28  H   -0.046851   0.000798  -0.039487   0.941444   0.010120  -0.133099
    29  C    0.040769  -0.222113  -0.577987  -0.669562   0.315424  -0.052825
    30  H    0.007303  -0.001368  -0.030552   0.044560  -0.007723  -0.004943
    31  H   -0.009150   0.068141   0.172625   1.216919  -0.336797  -0.042789
    32  H   -0.012267  -0.050556   0.111607  -1.032402   0.286573   0.049088
    33  H   -0.032738  -0.113702  -0.416394   0.035265   0.158993   0.049781
               7          8          9         10         11         12
     1  C   -1.828186  -0.331440   0.750531  -0.325980   0.249552   0.175279
     2  C   -2.397908   0.628021  -0.450128  -0.054458  -0.295197   0.041226
     3  C   -0.408221   0.008278  -0.124900  -0.010108  -0.414841  -1.080878
     4  C   -0.865182  -0.147230   0.040011  -0.001989  -6.841823   1.096189
     5  C   -0.865746  -0.161038  -0.254212   0.167572   0.920417  -0.308883
     6  C    0.712448  -0.330247  -0.245919   0.093508  -0.409401  -0.272207
     7  C   14.033984  -1.154042   0.381650   0.264720  -0.460728  -0.011209
     8  C   -1.154042  10.238492  -0.644910  -0.354603   0.006665   0.004353
     9  C    0.381650  -0.644910   4.999384  -0.257897  -0.006662  -0.004221
    10  C    0.264720  -0.354603  -0.257897   5.138873  -0.003447   0.000839
    11  C   -0.460728   0.006665  -0.006662  -0.003447  17.059264  -2.873146
    12  C   -0.011209   0.004353  -0.004221   0.000839  -2.873146   8.546275
    13  O   -0.002311   0.000080  -0.000071   0.000001   0.183487  -0.200111
    14  O    0.001178   0.000216   0.000986   0.000042   0.190736  -0.390618
    15  H   -0.087924   0.076511  -0.075000   0.020636  -0.035708   0.016189
    16  H    0.147899  -0.007609   0.009693   0.000888  -0.108176   0.203110
    17  H    0.184126  -0.021244   0.005315  -0.002601  -0.005558  -0.059550
    18  H   -0.612068   0.020354  -0.045646   0.050606   0.147788   0.005674
    19  H   -1.266745   0.002536   0.034365  -0.109268   0.002505  -0.003536
    20  H   -0.912461   0.192570   0.043851  -0.079579  -0.017851   0.001554
    21  H   -0.077207  -2.064043   0.247243  -0.098695   0.003203   0.001210
    22  H   -0.140402   0.388488   0.080975  -0.138151  -0.021670   0.002926
    23  H   -0.366775   0.011531   0.124822  -0.092375  -0.000586   0.000195
    24  H    0.116656  -0.048005  -0.030262   0.120361   0.004364  -0.000201
    25  H    0.035127  -0.361458  -0.086350   0.379577   0.000104   0.000107
    26  H   -0.266662   0.341019  -0.087684  -0.008429   0.002300   0.000063
    27  H    0.083288   0.320836   0.098369  -0.060909  -0.001665   0.000037
    28  H   -0.008989   0.004579  -0.001503   0.000036  -2.100815   0.230272
    29  C   -0.095045  -0.006003  -0.000583   0.000113   0.443950   0.098194
    30  H   -0.000173  -0.000041  -0.000092   0.000000   0.007184  -0.057421
    31  H    0.003188  -0.000577   0.000066  -0.000032  -0.698990   0.034904
    32  H   -0.021234   0.000637  -0.000126   0.000057   0.976308  -0.187123
    33  H   -0.014995  -0.000376  -0.000200  -0.000045  -0.309166   0.102118
              13         14         15         16         17         18
     1  C   -0.071191  -0.049775  -6.156438   2.274542  -0.286342  -0.119173
     2  C   -0.007596   0.013961   3.667592  -1.281482   0.220521   0.124510
     3  C    0.184519   0.112453   1.828861  -5.831284   0.016780  -0.215188
     4  C   -0.119695  -0.070252  -1.677485   2.365303   0.389825   0.335829
     5  C    0.022645   0.016240   0.158242   0.538556  -3.614738   2.033400
     6  C    0.013334   0.031341   0.665595   0.045922   1.849557  -3.055657
     7  C   -0.002311   0.001178  -0.087924   0.147899   0.184126  -0.612068
     8  C    0.000080   0.000216   0.076511  -0.007609  -0.021244   0.020354
     9  C   -0.000071   0.000986  -0.075000   0.009693   0.005315  -0.045646
    10  C    0.000001   0.000042   0.020636   0.000888  -0.002601   0.050606
    11  C    0.183487   0.190736  -0.035708  -0.108176  -0.005558   0.147788
    12  C   -0.200111  -0.390618   0.016189   0.203110  -0.059550   0.005674
    13  O    8.584974   0.025996  -0.001393  -0.049127   0.004518  -0.000180
    14  O    0.025996   8.415923  -0.001143  -0.016345   0.019338  -0.000409
    15  H   -0.001393  -0.001143   4.429884  -0.444987   0.009714  -0.036912
    16  H   -0.049127  -0.016345  -0.444987   4.497560  -0.041201   0.006279
    17  H    0.004518   0.019338   0.009714  -0.041201   4.077758  -0.438631
    18  H   -0.000180  -0.000409  -0.036912   0.006279  -0.438631   3.985979
    19  H   -0.000046   0.000013  -0.179122   0.002685  -0.006999   0.033102
    20  H   -0.000026   0.000018   0.036655  -0.003460   0.019833  -0.101816
    21  H    0.000002  -0.000107   0.002884  -0.000175   0.004489  -0.079151
    22  H   -0.000116  -0.002202  -0.016750   0.001917  -0.002631   0.013843
    23  H    0.000021   0.000055  -0.015661  -0.001280   0.001194  -0.010534
    24  H   -0.000045   0.000282   0.004313   0.000474  -0.000604   0.000849
    25  H    0.000004   0.000008   0.012303  -0.000227  -0.000207   0.003705
    26  H   -0.000002   0.000013   0.000159   0.000021  -0.000594   0.018281
    27  H    0.000001  -0.000017  -0.003298   0.000042   0.000196  -0.005048
    28  H   -0.004556  -0.050187   0.001841  -0.017931  -0.244400   0.007795
    29  C    0.000784  -0.008887   0.012243  -0.031546   0.016460   0.011075
    30  H   -0.044248   0.258718   0.000055   0.002722  -0.001287   0.000085
    31  H   -0.002738   0.001919  -0.001425   0.013371   0.001495   0.000476
    32  H    0.024564   0.009355  -0.003197   0.019265  -0.012240   0.002629
    33  H   -0.001930  -0.014818   0.006154  -0.121695   0.010563  -0.000925
              19         20         21         22         23         24
     1  C    1.576402  -0.322320   0.074651   0.004185   0.241300  -0.150139
     2  C   -0.558807  -0.396567  -0.128899   0.004175  -0.077732   0.075247
     3  C    0.275118  -0.053190   0.082551  -0.066774   0.039164   0.006392
     4  C    0.266374   0.022694   0.065629   0.023420   0.043732  -0.021106
     5  C   -0.379429   0.342277   0.055586   0.039298  -0.021110   0.033404
     6  C   -0.841722   0.533659   0.119611   0.020170  -0.031549   0.024874
     7  C   -1.266745  -0.912461  -0.077207  -0.140402  -0.366775   0.116656
     8  C    0.002536   0.192570  -2.064043   0.388488   0.011531  -0.048005
     9  C    0.034365   0.043851   0.247243   0.080975   0.124822  -0.030262
    10  C   -0.109268  -0.079579  -0.098695  -0.138151  -0.092375   0.120361
    11  C    0.002505  -0.017851   0.003203  -0.021670  -0.000586   0.004364
    12  C   -0.003536   0.001554   0.001210   0.002926   0.000195  -0.000201
    13  O   -0.000046  -0.000026   0.000002  -0.000116   0.000021  -0.000045
    14  O    0.000013   0.000018  -0.000107  -0.002202   0.000055   0.000282
    15  H   -0.179122   0.036655   0.002884  -0.016750  -0.015661   0.004313
    16  H    0.002685  -0.003460  -0.000175   0.001917  -0.001280   0.000474
    17  H   -0.006999   0.019833   0.004489  -0.002631   0.001194  -0.000604
    18  H    0.033102  -0.101816  -0.079151   0.013843  -0.010534   0.000849
    19  H    3.171637  -0.475121   0.120276  -0.016610   0.026044   0.014332
    20  H   -0.475121   2.859791   0.018377   0.040694   0.016732  -0.018107
    21  H    0.120276   0.018377   3.472325  -0.085011   0.161373  -0.068979
    22  H   -0.016610   0.040694  -0.085011   2.209908  -0.335235  -0.656903
    23  H    0.026044   0.016732   0.161373  -0.335235   2.040851  -0.499569
    24  H    0.014332  -0.018107  -0.068979  -0.656903  -0.499569   2.498208
    25  H   -0.069193  -0.014517   0.140328   0.008049  -0.004061  -0.015245
    26  H    0.013956  -0.100839  -0.101511  -0.032136  -0.001379   0.041349
    27  H    0.018795   0.039227  -0.121975   0.030505  -0.021379  -0.053152
    28  H    0.000261  -0.001632  -0.000576   0.000144  -0.000363   0.000294
    29  C   -0.003559  -0.002884   0.000851   0.001024   0.000492  -0.000189
    30  H   -0.000018   0.000007   0.000039   0.000075   0.000032  -0.000047
    31  H    0.000240   0.000345   0.000035   0.000450   0.000040  -0.000003
    32  H   -0.000315  -0.001074   0.000329  -0.001029   0.000101   0.000010
    33  H   -0.001222  -0.000185   0.000077   0.000351   0.000069  -0.000052
              25         26         27         28         29         30
     1  C   -0.059971  -0.003443   0.023423  -0.046851   0.040769   0.007303
     2  C    0.054201   0.241731  -0.145472   0.000798  -0.222113  -0.001368
     3  C    0.025480  -0.014797  -0.005317  -0.039487  -0.577987  -0.030552
     4  C   -0.004897   0.020022  -0.007810   0.941444  -0.669562   0.044560
     5  C    0.018976   0.019892  -0.013030   0.010120   0.315424  -0.007723
     6  C    0.056866   0.009025  -0.046992  -0.133099  -0.052825  -0.004943
     7  C    0.035127  -0.266662   0.083288  -0.008989  -0.095045  -0.000173
     8  C   -0.361458   0.341019   0.320836   0.004579  -0.006003  -0.000041
     9  C   -0.086350  -0.087684   0.098369  -0.001503  -0.000583  -0.000092
    10  C    0.379577  -0.008429  -0.060909   0.000036   0.000113   0.000000
    11  C    0.000104   0.002300  -0.001665  -2.100815   0.443950   0.007184
    12  C    0.000107   0.000063   0.000037   0.230272   0.098194  -0.057421
    13  O    0.000004  -0.000002   0.000001  -0.004556   0.000784  -0.044248
    14  O    0.000008   0.000013  -0.000017  -0.050187  -0.008887   0.258718
    15  H    0.012303   0.000159  -0.003298   0.001841   0.012243   0.000055
    16  H   -0.000227   0.000021   0.000042  -0.017931  -0.031546   0.002722
    17  H   -0.000207  -0.000594   0.000196  -0.244400   0.016460  -0.001287
    18  H    0.003705   0.018281  -0.005048   0.007795   0.011075   0.000085
    19  H   -0.069193   0.013956   0.018795   0.000261  -0.003559  -0.000018
    20  H   -0.014517  -0.100839   0.039227  -0.001632  -0.002884   0.000007
    21  H    0.140328  -0.101511  -0.121975  -0.000576   0.000851   0.000039
    22  H    0.008049  -0.032136   0.030505   0.000144   0.001024   0.000075
    23  H   -0.004061  -0.001379  -0.021379  -0.000363   0.000492   0.000032
    24  H   -0.015245   0.041349  -0.053152   0.000294  -0.000189  -0.000047
    25  H    1.925750  -0.331902  -0.481898   0.000050   0.000142  -0.000005
    26  H   -0.331902   2.103255  -0.551085   0.000061   0.000193   0.000005
    27  H   -0.481898  -0.551085   2.208627  -0.000066  -0.000126  -0.000001
    28  H    0.000050   0.000061  -0.000066   2.966907   0.104847   0.008905
    29  C    0.000142   0.000193  -0.000126   0.104847   5.113662   0.013595
    30  H   -0.000005   0.000005  -0.000001   0.008905   0.013595   0.662596
    31  H    0.000003   0.000002  -0.000007   0.004935  -0.461151   0.000062
    32  H    0.000015   0.000070  -0.000024  -0.026799  -0.055622  -0.000910
    33  H    0.000018   0.000011  -0.000009   0.100569   0.641171   0.003758
              31         32         33
     1  C   -0.009150  -0.012267  -0.032738
     2  C    0.068141  -0.050556  -0.113702
     3  C    0.172625   0.111607  -0.416394
     4  C    1.216919  -1.032402   0.035265
     5  C   -0.336797   0.286573   0.158993
     6  C   -0.042789   0.049088   0.049781
     7  C    0.003188  -0.021234  -0.014995
     8  C   -0.000577   0.000637  -0.000376
     9  C    0.000066  -0.000126  -0.000200
    10  C   -0.000032   0.000057  -0.000045
    11  C   -0.698990   0.976308  -0.309166
    12  C    0.034904  -0.187123   0.102118
    13  O   -0.002738   0.024564  -0.001930
    14  O    0.001919   0.009355  -0.014818
    15  H   -0.001425  -0.003197   0.006154
    16  H    0.013371   0.019265  -0.121695
    17  H    0.001495  -0.012240   0.010563
    18  H    0.000476   0.002629  -0.000925
    19  H    0.000240  -0.000315  -0.001222
    20  H    0.000345  -0.001074  -0.000185
    21  H    0.000035   0.000329   0.000077
    22  H    0.000450  -0.001029   0.000351
    23  H    0.000040   0.000101   0.000069
    24  H   -0.000003   0.000010  -0.000052
    25  H    0.000003   0.000015   0.000018
    26  H    0.000002   0.000070   0.000011
    27  H   -0.000007  -0.000024  -0.000009
    28  H    0.004935  -0.026799   0.100569
    29  C   -0.461151  -0.055622   0.641171
    30  H    0.000062  -0.000910   0.003758
    31  H    2.276846  -0.451243  -0.413898
    32  H   -0.451243   2.066587  -0.380087
    33  H   -0.413898  -0.380087   1.949517
 Mulliken charges:
               1
     1  C    1.109711
     2  C    1.107885
     3  C    1.321649
     4  C    0.688818
     5  C    0.018189
     6  C   -0.110527
     7  C    1.899945
     8  C   -0.612300
     9  C    1.499102
    10  C    1.360740
    11  C    0.407604
    12  C    0.888390
    13  O   -0.539547
    14  O   -0.494032
    15  H   -1.213388
    16  H   -1.173724
    17  H   -1.092857
    18  H   -1.080920
    19  H   -0.646928
    20  H   -0.666657
    21  H   -0.744739
    22  H   -0.354977
    23  H   -0.228160
    24  H   -0.378803
    25  H   -0.230882
    26  H   -0.310966
    27  H   -0.304063
    28  H   -0.706601
    29  C    1.373092
    30  H    0.139130
    31  H   -0.377261
    32  H   -0.310945
    33  H   -0.235977
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.103676
     2  C    1.107885
     3  C    0.147925
     4  C    0.688818
     5  C   -1.074669
     6  C   -1.191447
     7  C    0.586361
     8  C   -1.357039
     9  C    0.537162
    10  C    0.514830
    11  C   -0.298997
    12  C    0.888390
    13  O   -0.539547
    14  O   -0.354902
    29  C    0.448908
 Electronic spatial extent (au):  <R**2>=           4607.7631
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1348    Y=             -0.4828    Z=              1.3610  Tot=              1.8367
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -92.7853   YY=            -90.6472   ZZ=            -92.4065
   XY=              1.4829   XZ=             -5.7871   YZ=              0.7968
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.8390   YY=              1.2992   ZZ=             -0.4602
   XY=              1.4829   XZ=             -5.7871   YZ=              0.7968
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.2955  YYY=             32.3326  ZZZ=             -0.3102  XYY=            -22.5910
  XXY=             -4.8597  XXZ=             28.6520  XZZ=              2.8645  YZZ=             -1.8584
  YYZ=             13.6632  XYZ=            -11.3699
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5138.1541 YYYY=           -715.1561 ZZZZ=           -484.1703 XXXY=             -6.6870
 XXXZ=           -103.7040 YYYX=           -104.0705 YYYZ=             31.1112 ZZZX=             -7.4374
 ZZZY=             -9.4477 XXYY=           -915.1576 XXZZ=           -945.9777 YYZZ=           -212.3113
 XXYZ=             49.7929 YYXZ=            -27.2208 ZZXY=              1.5973
 N-N= 9.730271857367D+02 E-N=-3.473473768037D+03  KE= 6.529445482256D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 13:28:12 2021, MaxMem=  6442450944 cpu:              14.9 elap:               3.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30043098D-01-1.59800220D-01 5.36355790D-01
 Polarizability= 2.07843605D+02-1.40721032D+00 1.30367258D+02
                 2.09507671D+00-7.18914189D+00 1.40807429D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0062   -1.0060       -1.0188   -1.0189
 2      1.0062    1.0060        3.7263    3.7252      -43.3918  -43.3967
 3      1.0188    1.0189       38.3038   38.3064       -3.7255   -3.7252
 4     -3.7263   -3.7252        0.0000    0.0000        1.0183    1.0189
 5      5.0881    5.0904       -1.0183   -1.0189       -1.0090   -1.0060
 6      3.7255    3.7252        1.0090    1.0060        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.0179    3.0179       -3.0566   -3.0566
 2    -11.1755  -11.1755        0.0000    0.0000       -3.0566   -3.0566
 3    -11.1755  -11.1755        3.0179    3.0179       -0.0000    0.0000
 4      3.0179    3.0179       11.1755   11.1755     -130.1902 -130.1902
 5      3.0566    3.0566      114.9191  114.9191      -11.1755  -11.1755
 6     15.2712   15.2712       -3.0566   -3.0566       -3.0179   -3.0179
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1727    0.0000        3.9833    4.0239        3.9475    4.0754
 2     -3.9553   -4.0239      -14.8226  -14.9007      173.4618  173.5870
 3     -3.9968   -4.0754     -153.0421 -153.2254       15.0515   14.9007
 4     14.9533   14.9007        0.0365    0.0000       -4.0337   -4.0754
 5    -20.3696  -20.3616        3.7832    4.0754        4.0117    4.0239
 6    -14.8885  -14.9007       -4.0653   -4.0239        0.0464    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0725    0.0000      -85.5648  -85.4538        8.0799    7.9135
 2     85.0481   85.4538       -4.7374   -4.3703       -1.3000   -0.8989
 3     -7.9949   -7.9135       44.0535   43.5499        4.9872    4.3703
 4      4.3796    4.3703       -0.0050    0.0000       -8.2132   -7.9135
 5    -43.2197  -42.6510        8.2653    7.9135      -85.4146  -85.4538
 6     -4.1062   -4.3703       85.2324   85.4538        0.2136    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -21.4375  -21.3089        3.7943    4.4173      -50.2167  -50.0250
 2     -2.9071   -2.8268      -58.0731  -57.5717      -50.2967  -50.0250
 3     -2.9391   -2.8268        3.8179    4.4173      -67.1138  -66.8635
 4     62.0415   61.9890      -18.5974  -18.4821       20.0839   20.1808
 5    -17.0245  -16.8385       55.8805   55.9337       18.9444   18.4821
 6    -76.6141  -76.1145       16.4218   16.8385      -61.8572  -61.9890
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.2631   -0.0009    0.0007    0.0010    2.2520    3.7066
 Low frequencies ---   24.9151   36.5360   45.6681
 Diagonal vibrational polarizability:
       44.0726976      17.8066734       8.4641303
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.9146                36.5357                45.6673
 Red. masses --      3.6253                 5.9313                 4.0981
 Frc consts  --      0.0013                 0.0047                 0.0050
 IR Inten    --      0.1620                 0.8922                 0.8498
 RamAct Fr= 1--      0.3396                 1.0491                 1.6433
  Dep-P Fr= 1--      0.7474                 0.6709                 0.7406
  Dep-U Fr= 1--      0.8554                 0.8030                 0.8509
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0003
 Beta2  Fr= 1--      0.0484                 0.1404                 0.2331
 AlphaG Fr= 1--     -0.0002                 0.0061                -0.0032
 Gamma2 Fr= 1--      0.2475                 0.2090                -0.8572
 Delta2 Fr= 1--      0.1495                 0.5587                -1.0846
 Raman1 Fr= 1--       1.358                  4.196                  6.573
 ROA1   Fr= 1--      28.544                 37.940               -116.995
 CID1   Fr= 1--      21.014                  9.041                -17.798
 Raman2 Fr= 1--       0.581                  1.685                  2.797
 ROA2   Fr= 1--       4.744                  0.546                -11.895
 CID2   Fr= 1--       8.166                  0.324                 -4.253
 Raman3 Fr= 1--       1.162                  3.370                  5.593
 ROA3   Fr= 1--      28.544                 37.940               -116.995
 CID3   Fr= 1--      24.566                 11.259                -20.916
 RC180  Fr= 1--       0.711                  0.606                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.01    -0.01  -0.09  -0.04    -0.01  -0.13  -0.06
     2   6    -0.00   0.05  -0.05    -0.01  -0.06  -0.03     0.00  -0.04  -0.03
     3   6    -0.02   0.10   0.03    -0.01  -0.10  -0.04    -0.01  -0.13  -0.05
     4   6     0.01   0.05   0.02    -0.01  -0.07  -0.03     0.01  -0.03  -0.00
     5   6     0.03  -0.00  -0.02    -0.00  -0.06  -0.03     0.03   0.06   0.02
     6   6     0.03  -0.00  -0.05    -0.00  -0.05  -0.02     0.02   0.05   0.00
     7   6    -0.01   0.03  -0.10    -0.00   0.01  -0.00     0.00  -0.00  -0.05
     8   6     0.04  -0.08   0.03    -0.08   0.03   0.05    -0.02  -0.03   0.02
     9   6     0.05   0.00   0.22    -0.17   0.03   0.12    -0.15   0.00   0.21
    10   6     0.04  -0.10  -0.05    -0.06   0.14   0.03    -0.01   0.08  -0.13
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.02   0.03
    12   6    -0.05  -0.02  -0.05     0.08   0.03  -0.01     0.06   0.03  -0.01
    13   8    -0.12  -0.13  -0.06    -0.13  -0.01   0.07     0.25   0.07  -0.07
    14   8    -0.02   0.09  -0.12     0.44   0.10  -0.09    -0.13  -0.00   0.04
    15   1    -0.04   0.14  -0.01    -0.01  -0.10  -0.04    -0.03  -0.20  -0.09
    16   1    -0.04   0.13   0.06    -0.01  -0.12  -0.05    -0.03  -0.19  -0.06
    17   1     0.05  -0.04  -0.02    -0.00  -0.04  -0.02     0.04   0.13   0.05
    18   1     0.04  -0.05  -0.09    -0.00  -0.03  -0.02     0.04   0.12   0.03
    19   1    -0.03   0.16  -0.10     0.02   0.06   0.00    -0.01   0.07  -0.05
    20   1    -0.02  -0.03  -0.23     0.04   0.02  -0.03     0.03  -0.02  -0.11
    21   1     0.08  -0.21   0.03    -0.07  -0.04   0.05     0.07  -0.17   0.04
    22   1     0.06   0.01   0.28    -0.18  -0.05   0.14    -0.15  -0.08   0.33
    23   1     0.01   0.14   0.23    -0.19   0.10   0.12    -0.26   0.13   0.19
    24   1     0.08  -0.08   0.31    -0.22   0.04   0.15    -0.15  -0.02   0.25
    25   1    -0.00   0.04  -0.06    -0.07   0.22   0.04    -0.10   0.24  -0.15
    26   1     0.03  -0.16  -0.19     0.00   0.14  -0.02     0.08   0.05  -0.28
    27   1     0.07  -0.18   0.03    -0.12   0.15   0.08    -0.02   0.05  -0.07
    28   1     0.05   0.10   0.08     0.01   0.02  -0.01     0.03   0.05   0.03
    29   6     0.03  -0.08   0.15    -0.07   0.03   0.01    -0.04   0.03   0.06
    30   1    -0.06   0.06  -0.19     0.47   0.11  -0.09    -0.07   0.01   0.01
    31   1     0.03  -0.10   0.17    -0.07   0.11   0.02    -0.03   0.06   0.09
    32   1     0.07  -0.05   0.24    -0.14   0.01   0.03    -0.06   0.02   0.07
    33   1     0.01  -0.16   0.13    -0.07   0.00   0.01    -0.06   0.01   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.0153                67.5112               108.3575
 Red. masses --      4.0872                 3.0139                 4.7885
 Frc consts  --      0.0070                 0.0081                 0.0331
 IR Inten    --      0.3691                 0.1498                 0.0980
 RamAct Fr= 1--      4.6567                 0.1559                 2.5966
  Dep-P Fr= 1--      0.7491                 0.7490                 0.7300
  Dep-U Fr= 1--      0.8566                 0.8565                 0.8439
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0009
 Beta2  Fr= 1--      0.6648                 0.0222                 0.3652
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0008
 Gamma2 Fr= 1--      0.3562                 0.6598                -0.6324
 Delta2 Fr= 1--      0.0863                 0.3087                -0.1037
 Raman1 Fr= 1--      18.627                  0.623                 10.386
 ROA1   Fr= 1--      36.957                 73.223                -64.028
 CID1   Fr= 1--       1.984                117.448                 -6.165
 Raman2 Fr= 1--       7.978                  0.267                  4.383
 ROA2   Fr= 1--       7.859                 13.366                -14.347
 CID2   Fr= 1--       0.985                 50.060                 -3.274
 Raman3 Fr= 1--      15.955                  0.534                  8.765
 ROA3   Fr= 1--      36.957                 73.223                -64.028
 CID3   Fr= 1--       2.316                137.122                 -7.305
 RC180  Fr= 1--       0.713                  0.713                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.08    -0.04  -0.03  -0.10    -0.09   0.10   0.07
     2   6    -0.01   0.07  -0.01    -0.01   0.01  -0.11    -0.07   0.13   0.07
     3   6    -0.03  -0.14  -0.09    -0.04  -0.05  -0.05    -0.09  -0.03   0.04
     4   6    -0.01   0.01  -0.04     0.00  -0.02  -0.02    -0.09  -0.12   0.02
     5   6     0.01   0.22   0.04     0.04  -0.00  -0.05    -0.07  -0.09   0.02
     6   6     0.01   0.25   0.05     0.03   0.01  -0.09    -0.06   0.04   0.05
     7   6    -0.01   0.03  -0.02    -0.01   0.06  -0.11    -0.07   0.13   0.02
     8   6     0.05  -0.04   0.02    -0.06   0.02   0.01     0.05   0.07  -0.01
     9   6     0.11   0.00   0.09     0.07   0.03  -0.05     0.16   0.11   0.01
    10   6     0.04  -0.11   0.00    -0.05  -0.03   0.26     0.03  -0.09  -0.10
    11   6    -0.02  -0.04  -0.05     0.01   0.00   0.05    -0.09  -0.10   0.00
    12   6    -0.05  -0.03   0.03     0.03   0.00   0.02     0.08  -0.05  -0.03
    13   8    -0.14  -0.00   0.08     0.08  -0.00   0.00     0.21  -0.01  -0.07
    14   8     0.04  -0.07   0.05    -0.02   0.01   0.03     0.14  -0.05  -0.04
    15   1    -0.03  -0.24  -0.12    -0.08  -0.04  -0.11    -0.09   0.16   0.09
    16   1    -0.04  -0.29  -0.15    -0.07  -0.07  -0.04    -0.11  -0.04   0.05
    17   1     0.02   0.35   0.08     0.08   0.02  -0.02    -0.07  -0.14   0.01
    18   1     0.02   0.40   0.11     0.06   0.04  -0.10    -0.05   0.06   0.04
    19   1    -0.02   0.07  -0.03     0.01   0.15  -0.10    -0.12   0.14   0.01
    20   1    -0.04  -0.00  -0.08     0.01   0.03  -0.18    -0.09   0.11  -0.03
    21   1     0.06  -0.07   0.02    -0.23   0.03  -0.03     0.11   0.09   0.01
    22   1     0.11   0.03   0.09     0.05   0.05  -0.26     0.18   0.20   0.04
    23   1     0.12   0.04   0.09     0.28   0.04  -0.00     0.15   0.10   0.01
    24   1     0.14  -0.04   0.12    -0.02   0.02   0.06     0.25   0.06   0.01
    25   1     0.04  -0.08  -0.00     0.13  -0.07   0.31    -0.04  -0.14  -0.12
    26   1     0.00  -0.14  -0.04    -0.15  -0.03   0.34    -0.04  -0.11  -0.10
    27   1     0.09  -0.16   0.03    -0.11  -0.04   0.33     0.14  -0.13  -0.15
    28   1    -0.02  -0.10  -0.06     0.07   0.04   0.07    -0.12  -0.07   0.00
    29   6     0.00  -0.00  -0.11    -0.06  -0.02   0.13    -0.15  -0.04  -0.00
    30   1     0.02  -0.06   0.10     0.00   0.01   0.01     0.30  -0.01  -0.07
    31   1     0.00  -0.04  -0.10    -0.04   0.01   0.20    -0.15   0.05  -0.03
    32   1     0.03  -0.01  -0.17    -0.06  -0.02   0.15    -0.25  -0.07   0.01
    33   1    -0.01   0.06  -0.09    -0.11  -0.06   0.11    -0.11  -0.07  -0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    160.2674               198.0163               223.3358
 Red. masses --      3.8315                 2.8954                 1.0642
 Frc consts  --      0.0580                 0.0669                 0.0313
 IR Inten    --      0.1028                 0.5314                 0.1618
 RamAct Fr= 1--      1.4593                 0.3724                 0.0998
  Dep-P Fr= 1--      0.1937                 0.5412                 0.7405
  Dep-U Fr= 1--      0.3245                 0.7023                 0.8509
 Alpha2 Fr= 1--      0.0202                 0.0015                 0.0000
 Beta2  Fr= 1--      0.0789                 0.0436                 0.0142
 AlphaG Fr= 1--      0.0064                -0.0025                -0.0002
 Gamma2 Fr= 1--      0.1368                 0.5324                 0.1207
 Delta2 Fr= 1--     -0.0223                 0.2981                 0.0560
 Raman1 Fr= 1--       5.837                  1.490                  0.399
 ROA1   Fr= 1--      12.419                 60.649                 13.382
 CID1   Fr= 1--       2.128                 40.712                 33.515
 Raman2 Fr= 1--       0.947                  0.523                  0.170
 ROA2   Fr= 1--       3.462                 10.393                  2.449
 CID2   Fr= 1--       3.656                 19.866                 14.418
 Raman3 Fr= 1--       1.894                  1.046                  0.340
 ROA3   Fr= 1--      12.419                 60.649                 13.382
 CID3   Fr= 1--       6.556                 57.966                 39.387
 RC180  Fr= 1--      -0.351                  0.405                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.07   0.02     0.04   0.11  -0.03     0.01   0.02  -0.00
     2   6    -0.06   0.01  -0.03    -0.01   0.05  -0.01     0.00   0.01  -0.01
     3   6    -0.06   0.10   0.10     0.03   0.11  -0.08     0.00   0.01  -0.00
     4   6     0.01   0.07   0.12    -0.00   0.06  -0.11     0.00  -0.00  -0.01
     5   6     0.03   0.10   0.10    -0.04   0.09  -0.07     0.00   0.01  -0.01
     6   6     0.02   0.07   0.02    -0.04   0.09  -0.02     0.00   0.02  -0.00
     7   6    -0.08  -0.03  -0.11    -0.00  -0.07   0.09     0.01  -0.01   0.00
     8   6    -0.11  -0.06  -0.04    -0.01  -0.04   0.04     0.00  -0.01  -0.00
     9   6    -0.11  -0.05  -0.03    -0.08  -0.09  -0.02    -0.01  -0.02  -0.01
    10   6    -0.11  -0.05   0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
    11   6     0.00  -0.04   0.03     0.01  -0.03  -0.03     0.00  -0.00  -0.01
    12   6     0.05  -0.04  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03     0.06   0.03   0.01    -0.01   0.01   0.01
    14   8     0.10  -0.02  -0.02     0.07  -0.09   0.03    -0.00  -0.02   0.01
    15   1    -0.11   0.06   0.00     0.08   0.13  -0.00     0.00   0.03  -0.00
    16   1    -0.10   0.11   0.14     0.05   0.13  -0.09     0.00   0.01  -0.00
    17   1     0.07   0.12   0.12    -0.08   0.10  -0.09     0.01   0.02  -0.00
    18   1     0.07   0.08  -0.01    -0.07   0.09   0.00     0.01   0.03  -0.00
    19   1    -0.11   0.04  -0.11     0.08  -0.17   0.10     0.01  -0.02   0.00
    20   1    -0.07  -0.05  -0.17    -0.10  -0.06   0.20    -0.01  -0.01   0.01
    21   1    -0.17  -0.09  -0.06     0.01  -0.00   0.04    -0.00  -0.01  -0.00
    22   1    -0.12  -0.08  -0.08    -0.06  -0.05   0.17     0.00   0.01   0.08
    23   1    -0.06  -0.01  -0.01    -0.29  -0.20  -0.08    -0.11  -0.07  -0.04
    24   1    -0.16  -0.05   0.03     0.04  -0.04  -0.21     0.05  -0.01  -0.09
    25   1    -0.04  -0.01   0.06    -0.02   0.01   0.01     0.04   0.13   0.03
    26   1    -0.14  -0.06   0.03     0.01  -0.01  -0.00     0.00  -0.04  -0.09
    27   1    -0.14  -0.07   0.11    -0.02  -0.00   0.02    -0.01  -0.05   0.12
    28   1    -0.09  -0.09  -0.00     0.12   0.01  -0.00    -0.00   0.01  -0.01
    29   6     0.21  -0.05  -0.13    -0.05  -0.13   0.13    -0.01  -0.01   0.01
    30   1     0.19  -0.00  -0.04     0.14  -0.06   0.08    -0.01  -0.02   0.03
    31   1     0.18  -0.18  -0.28    -0.01  -0.29   0.39    -0.07   0.38  -0.35
    32   1     0.29  -0.03  -0.14     0.14  -0.07   0.05    -0.39  -0.08   0.42
    33   1     0.34   0.02  -0.09    -0.33  -0.11   0.09     0.41  -0.36  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.2851               250.0408               255.1630
 Red. masses --      1.0897                 1.5616                 1.7810
 Frc consts  --      0.0338                 0.0575                 0.0683
 IR Inten    --      0.2137                 0.1212                 0.9318
 RamAct Fr= 1--      0.0772                 1.4758                 0.5006
  Dep-P Fr= 1--      0.6899                 0.4257                 0.7085
  Dep-U Fr= 1--      0.8165                 0.5971                 0.8294
 Alpha2 Fr= 1--      0.0001                 0.0099                 0.0004
 Beta2  Fr= 1--      0.0105                 0.1469                 0.0692
 AlphaG Fr= 1--      0.0002                -0.0330                -0.0020
 Gamma2 Fr= 1--     -0.0711                -0.9195                 0.5225
 Delta2 Fr= 1--      0.0137                 0.0865                 0.1407
 Raman1 Fr= 1--       0.309                  5.903                  2.002
 ROA1   Fr= 1--      -6.389                -85.506                 54.656
 CID1   Fr= 1--     -20.689                -14.485                 27.294
 Raman2 Fr= 1--       0.126                  1.762                  0.830
 ROA2   Fr= 1--      -1.817                -22.760                 11.414
 CID2   Fr= 1--     -14.414                -12.914                 13.745
 Raman3 Fr= 1--       0.252                  3.525                  1.661
 ROA3   Fr= 1--      -6.389                -85.506                 54.656
 CID3   Fr= 1--     -25.339                -24.257                 32.910
 RC180  Fr= 1--       0.633                  0.194                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01    -0.01  -0.05  -0.03    -0.00  -0.05   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.04   0.03
     3   6    -0.01  -0.01   0.02    -0.01  -0.04  -0.03    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.02     0.01   0.01  -0.00    -0.01   0.03  -0.02
     5   6     0.01  -0.01   0.01    -0.01  -0.03  -0.02    -0.05  -0.01  -0.01
     6   6     0.01  -0.00   0.00    -0.01  -0.05  -0.02    -0.05  -0.05   0.01
     7   6     0.00   0.00  -0.01    -0.02   0.05   0.03    -0.02   0.00   0.03
     8   6     0.01  -0.00  -0.01    -0.03   0.05   0.03    -0.01   0.03  -0.01
     9   6     0.02  -0.01  -0.03     0.01   0.07   0.02     0.06   0.05  -0.00
    10   6     0.01   0.02   0.03    -0.05  -0.06  -0.00    -0.02   0.01  -0.04
    11   6    -0.01  -0.00   0.01     0.02   0.03   0.00    -0.01   0.03  -0.03
    12   6    -0.00  -0.00   0.00     0.00   0.03   0.00    -0.02   0.03  -0.03
    13   8    -0.00  -0.02  -0.00    -0.00   0.04   0.01    -0.01   0.11   0.00
    14   8    -0.01   0.02  -0.01    -0.00   0.02   0.01     0.02  -0.03   0.02
    15   1    -0.02  -0.00   0.00    -0.01  -0.08  -0.04     0.02  -0.08   0.00
    16   1    -0.01  -0.02   0.02    -0.02  -0.06  -0.03     0.02  -0.01  -0.04
    17   1     0.02  -0.02   0.01    -0.01  -0.03  -0.02    -0.08   0.00  -0.02
    18   1     0.01  -0.00  -0.00    -0.01  -0.06  -0.03    -0.07  -0.07   0.02
    19   1    -0.00  -0.01  -0.01     0.00   0.06   0.03    -0.03  -0.04   0.03
    20   1    -0.00   0.00  -0.01    -0.00   0.06   0.03     0.00   0.03   0.07
    21   1    -0.01   0.00  -0.01    -0.02   0.08   0.03    -0.00   0.04  -0.01
    22   1     0.06   0.11   0.20     0.09   0.28   0.42     0.01  -0.02  -0.31
    23   1    -0.23  -0.13  -0.10    -0.40  -0.11  -0.09     0.38   0.17   0.08
    24   1     0.22  -0.01  -0.23     0.38   0.03  -0.29    -0.14   0.03   0.23
    25   1     0.11   0.49   0.07    -0.10  -0.27  -0.02    -0.00   0.34  -0.03
    26   1    -0.04  -0.17  -0.37    -0.11  -0.02   0.14    -0.05  -0.14  -0.35
    27   1    -0.03  -0.23   0.44     0.04  -0.02  -0.16     0.00  -0.18   0.23
    28   1    -0.02  -0.02   0.01     0.02   0.04   0.01    -0.00   0.07  -0.02
    29   6    -0.01   0.03  -0.02     0.11  -0.04   0.01     0.10  -0.11   0.05
    30   1    -0.01   0.01  -0.03    -0.01   0.02   0.02     0.05  -0.00   0.07
    31   1    -0.00  -0.06   0.07     0.10  -0.11  -0.05     0.09  -0.21   0.01
    32   1     0.07   0.03  -0.15     0.17  -0.01   0.09     0.20  -0.05   0.17
    33   1    -0.12   0.15  -0.01     0.16  -0.09   0.01     0.11  -0.22   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.2527               321.6383               348.6184
 Red. masses --      2.7376                 3.4700                 3.3408
 Frc consts  --      0.1435                 0.2115                 0.2392
 IR Inten    --      0.9187                 0.3598                 0.9915
 RamAct Fr= 1--      1.3951                 0.3148                 2.2241
  Dep-P Fr= 1--      0.0599                 0.6137                 0.6532
  Dep-U Fr= 1--      0.1130                 0.7606                 0.7902
 Alpha2 Fr= 1--      0.0269                 0.0008                 0.0039
 Beta2  Fr= 1--      0.0263                 0.0399                 0.2929
 AlphaG Fr= 1--      0.0226                 0.0008                -0.0023
 Gamma2 Fr= 1--     -0.1190                 0.7371                 0.4984
 Delta2 Fr= 1--     -0.2356                 0.3755                -0.4658
 Raman1 Fr= 1--       5.580                  1.259                  8.896
 ROA1   Fr= 1--     -18.962                 82.781                 32.940
 CID1   Fr= 1--      -3.398                 65.736                  3.703
 Raman2 Fr= 1--       0.315                  0.479                  3.515
 ROA2   Fr= 1--      -0.970                 14.687                 15.688
 CID2   Fr= 1--      -3.077                 30.669                  4.463
 Raman3 Fr= 1--       0.631                  0.958                  7.030
 ROA3   Fr= 1--     -18.962                 82.781                 32.940
 CID3   Fr= 1--     -30.074                 86.428                  4.686
 RC180  Fr= 1--      -0.774                  0.521                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.03    -0.09  -0.00  -0.10    -0.02   0.09   0.00
     2   6     0.01  -0.01  -0.00    -0.06   0.05  -0.08     0.01   0.19   0.02
     3   6    -0.05  -0.02   0.06    -0.11  -0.01  -0.06    -0.03  -0.14  -0.02
     4   6    -0.06  -0.01   0.06    -0.07   0.03  -0.02     0.01  -0.14  -0.00
     5   6    -0.02  -0.01   0.03    -0.06  -0.00  -0.07     0.03  -0.15  -0.02
     6   6    -0.01  -0.01   0.00    -0.08   0.00  -0.11     0.05   0.08  -0.00
     7   6     0.04  -0.01  -0.11    -0.00  -0.05   0.13     0.00   0.09   0.03
     8   6     0.09  -0.07  -0.04     0.07  -0.03   0.07     0.06  -0.00   0.06
     9   6     0.04  -0.07   0.01     0.08  -0.06   0.01    -0.14  -0.12  -0.05
    10   6     0.14   0.14   0.07     0.10   0.12  -0.01     0.04  -0.08   0.01
    11   6    -0.09   0.00  -0.03    -0.04  -0.01   0.10     0.02   0.02  -0.00
    12   6    -0.05   0.04  -0.06    -0.01  -0.02   0.11     0.02   0.06  -0.01
    13   8    -0.03   0.15  -0.02     0.08  -0.12   0.04    -0.04   0.09   0.02
    14   8     0.01  -0.04  -0.01     0.00   0.12   0.02    -0.04   0.07  -0.01
    15   1    -0.10  -0.01   0.01    -0.13  -0.03  -0.12    -0.05   0.13   0.00
    16   1    -0.05  -0.02   0.06    -0.13  -0.04  -0.05    -0.07  -0.21  -0.02
    17   1     0.02  -0.02   0.05    -0.04  -0.04  -0.07     0.06  -0.23  -0.04
    18   1    -0.01  -0.01   0.00    -0.07  -0.03  -0.13     0.09   0.11  -0.02
    19   1    -0.06   0.12  -0.13     0.16  -0.23   0.16     0.01   0.14   0.04
    20   1     0.05  -0.07  -0.26    -0.16  -0.04   0.32    -0.10   0.02  -0.04
    21   1     0.06  -0.12  -0.04     0.12   0.01   0.09     0.08   0.02   0.07
    22   1     0.07  -0.03   0.19     0.07  -0.07  -0.08    -0.20  -0.39  -0.17
    23   1    -0.15  -0.11  -0.04     0.16  -0.10   0.03    -0.08  -0.17  -0.04
    24   1     0.17  -0.07  -0.12     0.03  -0.04   0.02    -0.41   0.07  -0.08
    25   1     0.22   0.00   0.09     0.03   0.15  -0.02     0.02  -0.06   0.00
    26   1     0.31   0.29   0.29     0.27   0.17  -0.00    -0.04  -0.14  -0.06
    27   1    -0.07   0.36  -0.05     0.00   0.21  -0.05     0.14  -0.17   0.05
    28   1    -0.15   0.06  -0.03    -0.01  -0.10   0.08    -0.01   0.05  -0.00
    29   6    -0.00  -0.10   0.01     0.10   0.01  -0.04     0.08  -0.03   0.00
    30   1     0.10   0.00   0.05     0.07   0.10  -0.12    -0.13   0.04  -0.02
    31   1    -0.00  -0.22   0.02     0.07  -0.06  -0.23     0.07  -0.14  -0.01
    32   1     0.12  -0.05   0.05     0.14   0.02  -0.03     0.18   0.01   0.02
    33   1    -0.04  -0.14  -0.01     0.28   0.06   0.00     0.08  -0.04   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    386.8639               410.7315               419.5371
 Red. masses --      2.8826                 2.6166                 2.9500
 Frc consts  --      0.2542                 0.2601                 0.3059
 IR Inten    --      0.6359                 0.1174                 0.0142
 RamAct Fr= 1--      1.1389                 4.5021                 0.2938
  Dep-P Fr= 1--      0.1719                 0.1133                 0.1572
  Dep-U Fr= 1--      0.2933                 0.2035                 0.2717
 Alpha2 Fr= 1--      0.0166                 0.0763                 0.0045
 Beta2  Fr= 1--      0.0557                 0.1527                 0.0133
 AlphaG Fr= 1--      0.0022                -0.0407                -0.0459
 Gamma2 Fr= 1--      0.3092                -0.3001                -0.8449
 Delta2 Fr= 1--      0.1406                 0.1093                -0.0591
 Raman1 Fr= 1--       4.556                 18.008                  1.175
 ROA1   Fr= 1--      34.186                -25.316                -83.000
 CID1   Fr= 1--       7.504                 -1.406                -70.627
 Raman2 Fr= 1--       0.668                  1.833                  0.160
 ROA2   Fr= 1--       6.297                 -8.078                -19.804
 CID2   Fr= 1--       9.424                 -4.408               -124.035
 Raman3 Fr= 1--       1.336                  3.665                  0.319
 ROA3   Fr= 1--      34.186                -25.316                -83.000
 CID3   Fr= 1--      25.582                 -6.907               -259.924
 RC180  Fr= 1--      -0.413                 -0.593                 -0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.07     0.01   0.10   0.02     0.02   0.18   0.08
     2   6    -0.02   0.00   0.14    -0.04   0.05   0.02     0.00  -0.01   0.02
     3   6     0.05   0.02  -0.10     0.01  -0.08  -0.03    -0.02  -0.18  -0.08
     4   6    -0.01   0.01  -0.13     0.05  -0.09  -0.02    -0.01   0.01  -0.01
     5   6    -0.12  -0.03  -0.08     0.03  -0.02   0.03    -0.00   0.20   0.06
     6   6    -0.09   0.01   0.12     0.02   0.02   0.03    -0.03  -0.20  -0.06
     7   6    -0.05   0.06  -0.12    -0.08  -0.04  -0.01     0.01   0.01  -0.01
     8   6     0.01  -0.04  -0.05    -0.12  -0.10   0.06     0.03   0.02  -0.03
     9   6    -0.01  -0.03  -0.02     0.13  -0.07   0.01    -0.03   0.01  -0.00
    10   6     0.03   0.02   0.02    -0.13   0.11  -0.04     0.03  -0.02   0.01
    11   6     0.03   0.01   0.01     0.09   0.02  -0.02    -0.01  -0.00   0.01
    12   6     0.02  -0.01   0.08     0.06   0.02  -0.04    -0.01  -0.00   0.01
    13   8     0.04  -0.09   0.04    -0.03   0.02   0.00     0.01  -0.01   0.00
    14   8    -0.01   0.09   0.03    -0.01  -0.01  -0.01     0.00   0.01   0.01
    15   1     0.18  -0.07   0.12     0.04   0.17   0.05     0.05   0.39   0.16
    16   1     0.13   0.04  -0.16    -0.03  -0.13  -0.03    -0.02  -0.40  -0.17
    17   1    -0.25  -0.04  -0.15     0.01   0.02   0.03     0.01   0.42   0.13
    18   1    -0.18   0.03   0.21     0.06   0.02  -0.00    -0.08  -0.43  -0.13
    19   1    -0.32   0.34  -0.17    -0.08   0.03  -0.01    -0.02   0.00  -0.02
    20   1     0.09  -0.02  -0.46    -0.12  -0.09  -0.07     0.02   0.01  -0.02
    21   1    -0.01  -0.08  -0.06    -0.14  -0.11   0.06     0.02   0.01  -0.03
    22   1    -0.01  -0.04   0.03     0.17   0.23  -0.09    -0.04  -0.06   0.03
    23   1    -0.06  -0.02  -0.03     0.25  -0.21   0.02    -0.06   0.06  -0.01
    24   1     0.00  -0.03  -0.04     0.32  -0.18  -0.02    -0.08   0.03   0.01
    25   1     0.11   0.02   0.05    -0.28   0.18  -0.09     0.09  -0.04   0.03
    26   1     0.05   0.05   0.07     0.15   0.19  -0.07    -0.03  -0.03   0.03
    27   1    -0.06   0.06   0.05    -0.24   0.26  -0.14     0.04  -0.05   0.04
    28   1     0.13  -0.06   0.01     0.07   0.06  -0.02     0.00  -0.02   0.00
    29   6     0.05  -0.00   0.00     0.03   0.03   0.02     0.00  -0.00  -0.00
    30   1    -0.03   0.05  -0.07    -0.18  -0.05   0.05     0.03   0.01  -0.01
    31   1     0.04  -0.02  -0.05     0.04   0.06   0.08     0.00  -0.01  -0.02
    32   1     0.07   0.01   0.05     0.02   0.03   0.01     0.01  -0.00  -0.00
    33   1     0.11  -0.03   0.01    -0.02   0.02   0.01     0.01  -0.00  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.9031               452.1944               551.3813
 Red. masses --      2.2179                 3.7049                 2.4558
 Frc consts  --      0.2359                 0.4464                 0.4399
 IR Inten    --      0.9734                 6.7223                11.9599
 RamAct Fr= 1--      0.8743                 2.1900                 1.8347
  Dep-P Fr= 1--      0.5330                 0.1333                 0.3257
  Dep-U Fr= 1--      0.6954                 0.2353                 0.4913
 Alpha2 Fr= 1--      0.0037                 0.0353                 0.0174
 Beta2  Fr= 1--      0.1013                 0.0859                 0.1502
 AlphaG Fr= 1--      0.0029                 0.0044                 0.0191
 Gamma2 Fr= 1--     -0.5551                 0.1082                -0.0188
 Delta2 Fr= 1--     -0.1661                 0.0645                 0.0065
 Raman1 Fr= 1--       3.497                  8.760                  7.339
 ROA1   Fr= 1--     -58.610                 12.455                 -1.596
 CID1   Fr= 1--     -16.759                  1.422                 -0.217
 Raman2 Fr= 1--       1.216                  1.031                  1.803
 ROA2   Fr= 1--     -11.994                  2.082                 -0.503
 CID2   Fr= 1--      -9.864                  2.020                 -0.279
 Raman3 Fr= 1--       2.432                  2.061                  3.606
 ROA3   Fr= 1--     -58.610                 12.455                 -1.596
 CID3   Fr= 1--     -24.100                  6.042                 -0.443
 RC180  Fr= 1--       0.391                 -0.529                 -0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.02     0.07   0.02   0.03     0.07   0.00   0.04
     2   6    -0.00  -0.03  -0.01     0.09  -0.09  -0.04     0.09   0.13   0.05
     3   6    -0.01   0.03   0.01     0.06   0.02   0.03     0.04  -0.08  -0.01
     4   6     0.00   0.10   0.03    -0.03  -0.06  -0.02    -0.03   0.11   0.03
     5   6    -0.00   0.05   0.01     0.05   0.05  -0.02     0.02  -0.05  -0.07
     6   6    -0.01  -0.07  -0.03     0.07   0.02  -0.02     0.04   0.03  -0.01
     7   6     0.01   0.14   0.01     0.08   0.01  -0.02     0.05  -0.03  -0.02
     8   6     0.02   0.02   0.19    -0.06   0.01   0.10    -0.05  -0.03  -0.03
     9   6     0.01  -0.10  -0.04     0.03  -0.02  -0.01     0.01  -0.01   0.00
    10   6     0.00   0.00  -0.03    -0.10  -0.00  -0.04    -0.08   0.00  -0.01
    11   6    -0.00   0.02   0.01    -0.12  -0.11  -0.02    -0.10   0.03   0.08
    12   6    -0.01  -0.02  -0.02    -0.07   0.01   0.10    -0.14  -0.01   0.01
    13   8     0.00  -0.03  -0.03     0.04   0.06   0.08     0.01  -0.01  -0.06
    14   8     0.02  -0.08   0.00    -0.04   0.20  -0.01    -0.00  -0.06   0.02
    15   1    -0.02  -0.10  -0.03     0.06   0.12   0.05     0.04  -0.16  -0.03
    16   1    -0.01   0.03   0.00     0.11   0.10   0.02     0.09  -0.27  -0.14
    17   1    -0.00   0.06   0.01     0.11   0.13   0.03     0.04  -0.27  -0.13
    18   1    -0.02  -0.12  -0.04     0.04   0.10   0.03    -0.02  -0.16  -0.04
    19   1    -0.02   0.51   0.01     0.12   0.19  -0.00     0.04  -0.08  -0.03
    20   1     0.09   0.03  -0.33     0.17  -0.00  -0.13     0.00  -0.03   0.03
    21   1     0.06   0.04   0.20    -0.08  -0.00   0.09    -0.09  -0.06  -0.04
    22   1    -0.02  -0.14  -0.20     0.04   0.10  -0.10     0.02   0.07   0.00
    23   1     0.09  -0.38  -0.05     0.11  -0.18  -0.01     0.03   0.01   0.01
    24   1    -0.08   0.08  -0.23     0.08  -0.01  -0.09     0.07  -0.08   0.04
    25   1    -0.23   0.06  -0.10    -0.29   0.02  -0.09    -0.10   0.00  -0.01
    26   1     0.08  -0.03  -0.16    -0.05  -0.03  -0.13    -0.06   0.01  -0.01
    27   1     0.12  -0.03  -0.11     0.01  -0.03  -0.11    -0.09   0.02  -0.02
    28   1    -0.01   0.04   0.01    -0.09  -0.23  -0.04    -0.06   0.04   0.09
    29   6    -0.01   0.04   0.01    -0.09  -0.18  -0.09     0.01   0.04   0.02
    30   1     0.08  -0.04   0.08     0.12   0.17  -0.31     0.69   0.14  -0.03
    31   1    -0.01   0.08   0.03    -0.10  -0.24  -0.13    -0.01  -0.01  -0.10
    32   1    -0.05   0.03  -0.00    -0.04  -0.15  -0.03     0.03   0.05  -0.02
    33   1    -0.02   0.06   0.01    -0.05  -0.22  -0.09     0.11   0.12   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.1443               619.3203               642.9349
 Red. masses --      2.7667                 1.7552                 2.9798
 Frc consts  --      0.5225                 0.3967                 0.7257
 IR Inten    --     35.8469                63.2709                28.3496
 RamAct Fr= 1--      0.2432                 1.3355                 3.1116
  Dep-P Fr= 1--      0.1422                 0.7126                 0.6269
  Dep-U Fr= 1--      0.2490                 0.8322                 0.7707
 Alpha2 Fr= 1--      0.0038                 0.0009                 0.0070
 Beta2  Fr= 1--      0.0101                 0.1852                 0.3997
 AlphaG Fr= 1--     -0.0214                 0.0056                -0.0062
 Gamma2 Fr= 1--      0.0498                -1.7162                -0.1997
 Delta2 Fr= 1--     -0.1150                 0.1803                -0.2749
 Raman1 Fr= 1--       0.973                  5.342                 12.446
 ROA1   Fr= 1--       1.107               -158.983                -27.968
 CID1   Fr= 1--       1.138                -29.762                 -2.247
 Raman2 Fr= 1--       0.121                  2.223                  4.796
 ROA2   Fr= 1--       2.116                -42.631                 -2.594
 CID2   Fr= 1--      17.472                -19.179                 -0.541
 Raman3 Fr= 1--       0.242                  4.445                  9.592
 ROA3   Fr= 1--       1.107               -158.983                -27.968
 CID3   Fr= 1--       4.568                -35.763                 -2.916
 RC180  Fr= 1--      -0.502                  0.664                  0.541
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.06    -0.02   0.00  -0.03     0.07   0.03  -0.10
     2   6    -0.05   0.16   0.05    -0.07  -0.05  -0.00    -0.03  -0.01  -0.06
     3   6     0.03   0.02  -0.00    -0.01   0.03  -0.05     0.10  -0.04   0.07
     4   6     0.10   0.17   0.07     0.06  -0.05  -0.03     0.03  -0.05   0.04
     5   6     0.04  -0.00   0.06     0.04   0.00   0.02    -0.07  -0.04   0.12
     6   6     0.02  -0.08   0.01     0.02  -0.03   0.04    -0.09   0.03  -0.04
     7   6    -0.10   0.03   0.02    -0.07   0.02   0.02    -0.03   0.01  -0.00
     8   6     0.00  -0.03  -0.04     0.01   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.01   0.01   0.00     0.04   0.00   0.00     0.02  -0.00   0.00
    11   6     0.06  -0.06  -0.10     0.07  -0.05   0.03     0.01   0.10  -0.14
    12   6     0.02  -0.03   0.03    -0.05  -0.05   0.00     0.02   0.09   0.01
    13   8     0.02   0.02   0.06    -0.02   0.07   0.04    -0.02  -0.13  -0.06
    14   8    -0.01   0.06  -0.02    -0.07  -0.02  -0.05    -0.03   0.03   0.15
    15   1     0.01  -0.38  -0.16     0.05   0.08   0.03     0.03   0.12  -0.09
    16   1    -0.05  -0.25  -0.06    -0.04   0.13   0.02     0.03   0.00   0.15
    17   1    -0.01  -0.27  -0.05    -0.01   0.12   0.04    -0.02   0.03   0.17
    18   1     0.06  -0.39  -0.16     0.08   0.08   0.05     0.00   0.12  -0.07
    19   1    -0.12  -0.05   0.01    -0.09   0.02   0.02    -0.02   0.04  -0.00
    20   1    -0.20   0.01   0.06    -0.07   0.01   0.00    -0.02   0.00  -0.04
    21   1     0.01  -0.02  -0.03     0.05   0.03   0.01     0.02   0.01   0.00
    22   1     0.00  -0.03   0.02    -0.01  -0.03   0.01    -0.00  -0.01   0.00
    23   1    -0.01   0.02   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    24   1    -0.00  -0.04   0.03    -0.03   0.02  -0.01    -0.01   0.01  -0.01
    25   1     0.07   0.02   0.02     0.07   0.01   0.01     0.03   0.00   0.00
    26   1     0.04   0.03   0.04     0.05   0.01   0.02     0.02   0.00   0.01
    27   1    -0.07   0.05   0.03     0.01   0.01   0.02     0.00   0.00   0.01
    28   1     0.04  -0.15  -0.12     0.12  -0.04   0.04    -0.05   0.05  -0.16
    29   6    -0.08  -0.09  -0.06     0.03   0.03   0.02    -0.02  -0.02  -0.03
    30   1    -0.12  -0.00  -0.16     0.78   0.15  -0.40     0.68   0.25   0.15
    31   1    -0.05   0.04   0.12     0.03   0.13   0.03     0.00  -0.09   0.11
    32   1    -0.19  -0.12  -0.00    -0.08  -0.03  -0.07     0.08   0.04   0.16
    33   1    -0.24  -0.21  -0.11     0.03   0.11   0.04    -0.16  -0.26  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6842               720.5412               754.1943
 Red. masses --      5.0950                 3.1232                 3.9114
 Frc consts  --      1.3302                 0.9554                 1.3108
 IR Inten    --      8.0118                35.8887                 6.3018
 RamAct Fr= 1--      5.6909                 3.1403                 5.3364
  Dep-P Fr= 1--      0.4422                 0.0345                 0.0505
  Dep-U Fr= 1--      0.6133                 0.0666                 0.0961
 Alpha2 Fr= 1--      0.0360                 0.0644                 0.1053
 Beta2  Fr= 1--      0.5817                 0.0349                 0.0855
 AlphaG Fr= 1--     -0.0794                 0.0367                 0.0399
 Gamma2 Fr= 1--      0.0963                 0.8628                -0.3420
 Delta2 Fr= 1--      0.0003                 0.1992                 0.0064
 Raman1 Fr= 1--      22.764                 12.561                 21.346
 ROA1   Fr= 1--       9.251                 89.204                -32.630
 CID1   Fr= 1--       0.406                  7.102                 -1.529
 Raman2 Fr= 1--       6.980                  0.418                  1.026
 ROA2   Fr= 1--       2.308                 19.115                 -8.260
 CID2   Fr= 1--       0.331                 45.676                 -8.050
 Raman3 Fr= 1--      13.960                  0.837                  2.052
 ROA3   Fr= 1--       9.251                 89.204                -32.630
 CID3   Fr= 1--       0.663                106.582                -15.899
 RC180  Fr= 1--       0.227                 -0.867                 -0.808
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.15    -0.09   0.03   0.11    -0.00  -0.16   0.02
     2   6    -0.01  -0.04   0.07     0.07  -0.02  -0.01     0.08   0.22   0.08
     3   6    -0.21   0.06  -0.10    -0.10  -0.03   0.05     0.02   0.11   0.09
     4   6     0.01   0.01  -0.07    -0.04   0.08   0.03    -0.08  -0.22  -0.07
     5   6     0.20   0.03  -0.14    -0.08  -0.00  -0.04    -0.00   0.15  -0.02
     6   6     0.24  -0.07   0.12    -0.07   0.07  -0.02    -0.03  -0.11  -0.10
     7   6    -0.02  -0.01   0.03     0.17  -0.07  -0.06     0.03   0.08   0.01
     8   6     0.00   0.01   0.01     0.00   0.02   0.04    -0.00  -0.02  -0.06
     9   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.02  -0.07   0.01
    10   6     0.01   0.00   0.00    -0.03   0.00   0.01    -0.07   0.01  -0.01
    11   6    -0.00   0.08  -0.11     0.11   0.01  -0.10    -0.02  -0.01   0.02
    12   6     0.02   0.12  -0.01     0.18  -0.03  -0.01     0.16   0.03  -0.04
    13   8    -0.02  -0.11  -0.09    -0.02  -0.00   0.10    -0.04  -0.01   0.02
    14   8    -0.00   0.04   0.14    -0.08  -0.02  -0.04    -0.05  -0.01   0.01
    15   1    -0.11  -0.03   0.19    -0.22  -0.08   0.01    -0.07  -0.33  -0.06
    16   1    -0.17   0.09  -0.12    -0.12  -0.25  -0.04     0.12   0.34   0.12
    17   1     0.13   0.09  -0.15    -0.10  -0.23  -0.12     0.07   0.35   0.07
    18   1     0.21  -0.03   0.16    -0.19  -0.08   0.00    -0.12  -0.32  -0.12
    19   1     0.02  -0.10   0.04     0.21  -0.03  -0.05     0.03  -0.07   0.00
    20   1    -0.06   0.02   0.12     0.21  -0.04  -0.04    -0.08   0.08   0.14
    21   1     0.02   0.02   0.02    -0.08  -0.03   0.01    -0.02  -0.05  -0.06
    22   1     0.00  -0.01   0.00    -0.00   0.05  -0.03     0.02  -0.07   0.05
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.01   0.01
    24   1    -0.00   0.01  -0.01     0.01   0.03  -0.03     0.03  -0.11   0.07
    25   1     0.00   0.00  -0.00    -0.15  -0.03  -0.03     0.00   0.01   0.01
    26   1     0.02   0.00  -0.00    -0.07  -0.04  -0.05    -0.08   0.02   0.03
    27   1     0.01   0.00  -0.00     0.11  -0.05  -0.06    -0.14   0.03   0.03
    28   1    -0.04   0.04  -0.13     0.05   0.01  -0.12    -0.03   0.10   0.04
    29   6    -0.04  -0.05  -0.06     0.03   0.02  -0.00     0.01   0.01   0.02
    30   1     0.32   0.18   0.31     0.34   0.02  -0.38     0.21   0.04  -0.08
    31   1    -0.02  -0.12   0.05     0.07   0.14   0.21    -0.01  -0.08  -0.08
    32   1     0.06   0.02   0.12    -0.03   0.01   0.09     0.09   0.03  -0.01
    33   1    -0.14  -0.26  -0.12    -0.15  -0.13  -0.06     0.10   0.06   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.3253               822.9534               838.2083
 Red. masses --      2.2055                 3.8156                 2.7210
 Frc consts  --      0.8448                 1.5225                 1.1264
 IR Inten    --      8.5112                 9.5522                 0.4200
 RamAct Fr= 1--     34.7737                 1.6068                 7.2137
  Dep-P Fr= 1--      0.0666                 0.1035                 0.1068
  Dep-U Fr= 1--      0.1249                 0.1877                 0.1929
 Alpha2 Fr= 1--      0.6602                 0.0279                 0.1242
 Beta2  Fr= 1--      0.7238                 0.0503                 0.2319
 AlphaG Fr= 1--      0.1918                 0.0199                -0.0310
 Gamma2 Fr= 1--     -2.3064                 1.6678                 5.0532
 Delta2 Fr= 1--     -1.6344                 0.3386                 3.2160
 Raman1 Fr= 1--     139.095                  6.427                 28.855
 ROA1   Fr= 1--    -273.709                170.938                588.019
 CID1   Fr= 1--      -1.968                 26.596                 20.378
 Raman2 Fr= 1--       8.686                  0.603                  2.783
 ROA2   Fr= 1--     -42.278                 37.318                 95.548
 CID2   Fr= 1--      -4.867                 61.881                 34.328
 Raman3 Fr= 1--      17.372                  1.206                  5.567
 ROA3   Fr= 1--    -273.709                170.938                588.019
 CID3   Fr= 1--     -15.756                141.727                105.631
 RC180  Fr= 1--      -0.750                 -0.625                 -0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.04     0.07   0.02   0.02     0.02  -0.03   0.04
     2   6     0.02  -0.01  -0.01    -0.02  -0.11  -0.03     0.00   0.06   0.02
     3   6    -0.00  -0.07   0.03     0.06  -0.05   0.01     0.04  -0.02   0.07
     4   6    -0.01   0.08   0.03    -0.04   0.12   0.05    -0.04  -0.02  -0.01
     5   6    -0.00  -0.05  -0.05     0.05  -0.00  -0.10     0.05  -0.01  -0.07
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.04  -0.02  -0.06
     7   6     0.01   0.14   0.04    -0.15   0.05   0.08    -0.11  -0.09  -0.00
     8   6     0.01   0.00  -0.10    -0.01  -0.01  -0.02    -0.04  -0.04   0.08
     9   6     0.05  -0.12   0.03     0.00  -0.01  -0.00    -0.06   0.13  -0.03
    10   6    -0.09   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.06  -0.08    -0.12   0.01   0.11    -0.07   0.11  -0.10
    12   6    -0.05  -0.06   0.05     0.31   0.04  -0.08    -0.03  -0.07   0.06
    13   8     0.04  -0.01   0.04    -0.06  -0.02   0.06     0.04  -0.02   0.07
    14   8     0.01  -0.02  -0.04    -0.07  -0.04  -0.01     0.00  -0.04  -0.07
    15   1    -0.02   0.33   0.15     0.12   0.14   0.08    -0.01  -0.07   0.02
    16   1     0.04   0.16   0.10     0.15  -0.16  -0.11     0.11   0.06   0.05
    17   1     0.07   0.27   0.08     0.13  -0.15  -0.11     0.17   0.26   0.06
    18   1     0.02   0.41   0.13     0.05   0.19   0.01     0.06   0.12  -0.02
    19   1     0.06  -0.04   0.05    -0.20   0.13   0.06    -0.18   0.02  -0.01
    20   1    -0.00   0.20   0.20    -0.09   0.03  -0.03    -0.22  -0.19  -0.14
    21   1     0.08   0.02  -0.08     0.12   0.08   0.01    -0.05  -0.03   0.07
    22   1     0.04  -0.20   0.12     0.00  -0.02   0.02    -0.05   0.25  -0.13
    23   1    -0.02   0.00   0.02    -0.01   0.04  -0.00     0.02   0.02  -0.02
    24   1     0.02  -0.16   0.11    -0.00  -0.04   0.04    -0.01   0.13  -0.09
    25   1     0.11   0.01   0.04     0.18   0.03   0.03    -0.03   0.02  -0.02
    26   1    -0.13   0.04   0.08     0.06   0.04   0.06     0.24  -0.02  -0.06
    27   1    -0.24   0.05   0.08    -0.14   0.05   0.07     0.14   0.00  -0.06
    28   1    -0.02  -0.05  -0.10    -0.20   0.26   0.14    -0.12   0.00  -0.13
    29   6     0.02   0.04  -0.01    -0.08  -0.06  -0.02     0.01   0.08   0.01
    30   1    -0.07  -0.07  -0.14     0.15  -0.01  -0.14    -0.07  -0.11  -0.24
    31   1     0.05   0.05   0.15    -0.13  -0.25  -0.29     0.03  -0.10   0.10
    32   1     0.03   0.07   0.16     0.08  -0.02  -0.11     0.22   0.21   0.31
    33   1    -0.12  -0.15  -0.07     0.15   0.11   0.05    -0.06  -0.21  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4059               858.9698               873.5504
 Red. masses --      1.3155                 3.2405                 1.8246
 Frc consts  --      0.5645                 1.4087                 0.8203
 IR Inten    --      1.0266                 4.0737                18.3742
 RamAct Fr= 1--      1.5054                13.7042                 6.0973
  Dep-P Fr= 1--      0.5909                 0.1856                 0.0513
  Dep-U Fr= 1--      0.7429                 0.3131                 0.0975
 Alpha2 Fr= 1--      0.0045                 0.1933                 0.1201
 Beta2  Fr= 1--      0.1864                 0.7150                 0.0991
 AlphaG Fr= 1--     -0.0122                -0.0682                 0.0835
 Gamma2 Fr= 1--     -0.5790                -0.0966                -1.6221
 Delta2 Fr= 1--     -0.4299                -1.0317                -0.7047
 Raman1 Fr= 1--       6.022                 54.817                 24.389
 ROA1   Fr= 1--     -69.343                -42.292               -178.270
 CID1   Fr= 1--     -11.516                 -0.772                 -7.309
 Raman2 Fr= 1--       2.237                  8.581                  1.189
 ROA2   Fr= 1--     -10.458                  5.934                -33.292
 CID2   Fr= 1--      -4.676                  0.692                -27.993
 Raman3 Fr= 1--       4.473                 17.161                  2.379
 ROA3   Fr= 1--     -69.343                -42.292               -178.270
 CID3   Fr= 1--     -15.502                 -2.464                -74.947
 RC180  Fr= 1--       0.486                 -0.374                 -0.805
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03    -0.02  -0.06   0.14    -0.01  -0.08  -0.03
     2   6     0.01   0.02   0.01     0.02  -0.04  -0.02     0.02   0.11   0.04
     3   6     0.00   0.06   0.02     0.04  -0.07   0.15    -0.02  -0.07  -0.04
     4   6     0.00   0.02   0.01    -0.03   0.00   0.01     0.02   0.10   0.03
     5   6    -0.01  -0.07  -0.03     0.02   0.08  -0.14    -0.03  -0.05  -0.00
     6   6    -0.02  -0.07  -0.04    -0.05   0.08  -0.15    -0.02  -0.05  -0.00
     7   6     0.01  -0.02   0.01    -0.12   0.01   0.06     0.04  -0.04  -0.05
     8   6    -0.00  -0.01   0.00    -0.02  -0.03   0.01    -0.01  -0.03   0.03
     9   6    -0.01   0.01  -0.00    -0.02   0.03  -0.01    -0.03   0.05  -0.01
    10   6     0.00  -0.00   0.00     0.04  -0.02  -0.01     0.03  -0.01   0.02
    11   6     0.03  -0.03   0.03     0.15  -0.11   0.00     0.03  -0.02   0.05
    12   6     0.01   0.02  -0.02    -0.08   0.04  -0.02     0.05   0.02  -0.03
    13   8    -0.01   0.01  -0.02    -0.01   0.02  -0.08    -0.02   0.00  -0.01
    14   8    -0.00   0.01   0.02     0.02   0.05   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.42  -0.15    -0.13   0.12   0.15     0.06   0.50   0.18
    16   1    -0.04  -0.40  -0.14     0.15   0.00   0.11     0.04   0.48   0.16
    17   1     0.05   0.50   0.17     0.13  -0.18  -0.18    -0.03   0.27   0.10
    18   1     0.03   0.49   0.17    -0.16  -0.06  -0.13    -0.01   0.23   0.11
    19   1    -0.01   0.03   0.00    -0.19   0.12   0.05     0.05  -0.14  -0.05
    20   1     0.01  -0.03  -0.04    -0.12  -0.04  -0.07    -0.09  -0.06   0.02
    21   1     0.01   0.01   0.00     0.07   0.05   0.03    -0.13  -0.10  -0.00
    22   1    -0.00   0.03  -0.01    -0.01   0.07  -0.02    -0.02   0.12  -0.06
    23   1    -0.00   0.02  -0.00     0.00   0.05  -0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01     0.01  -0.00   0.01     0.00   0.06  -0.05
    25   1    -0.01  -0.00  -0.00     0.13   0.03   0.02    -0.15   0.00  -0.03
    26   1     0.00  -0.00  -0.00     0.12   0.02   0.03     0.10  -0.03  -0.07
    27   1     0.00  -0.00  -0.00    -0.08   0.04   0.04     0.14  -0.01  -0.08
    28   1     0.04  -0.02   0.03     0.22  -0.17  -0.00     0.04   0.05   0.06
    29   6     0.00  -0.03  -0.00     0.06  -0.04   0.00    -0.02  -0.06  -0.02
    30   1     0.01   0.03   0.06     0.03   0.10   0.21     0.03   0.03   0.05
    31   1     0.00   0.06  -0.01     0.10   0.32   0.19    -0.03   0.04  -0.05
    32   1    -0.08  -0.07  -0.09    -0.28  -0.20  -0.19    -0.13  -0.13  -0.17
    33   1    -0.01   0.05   0.01    -0.10   0.09   0.01     0.01   0.08   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.1329               936.3125               954.7455
 Red. masses --      1.5045                 1.1988                 1.6012
 Frc consts  --      0.7135                 0.6192                 0.8600
 IR Inten    --      1.7278                 1.8709                 0.4041
 RamAct Fr= 1--      3.0891                 1.3571                 4.4149
  Dep-P Fr= 1--      0.7456                 0.4519                 0.7359
  Dep-U Fr= 1--      0.8543                 0.6225                 0.8478
 Alpha2 Fr= 1--      0.0002                 0.0083                 0.0011
 Beta2  Fr= 1--      0.4398                 0.1408                 0.6239
 AlphaG Fr= 1--      0.0021                -0.0286                -0.0204
 Gamma2 Fr= 1--      0.8147                 0.2148                 0.9959
 Delta2 Fr= 1--      0.1915                 0.7180                -0.3837
 Raman1 Fr= 1--      12.356                  5.429                 17.659
 ROA1   Fr= 1--      84.340                 43.595                 83.326
 CID1   Fr= 1--       6.826                  8.031                  4.718
 Raman2 Fr= 1--       5.278                  1.690                  7.486
 ROA2   Fr= 1--      18.021                 -0.590                 26.971
 CID2   Fr= 1--       3.414                 -0.349                  3.603
 Raman3 Fr= 1--      10.556                  3.379                 14.973
 ROA3   Fr= 1--      84.340                 43.595                 83.326
 CID3   Fr= 1--       7.990                 12.900                  5.565
 RC180  Fr= 1--       0.709                  0.245                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     2   6     0.02   0.04   0.02     0.01   0.01   0.00    -0.01  -0.00   0.00
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.02   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.00  -0.09  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.01   0.09   0.01
     7   6     0.07  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.09  -0.01
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.07   0.07   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.05  -0.02   0.03
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.06   0.07  -0.00
    11   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.02   0.08  -0.02    -0.00   0.00  -0.01    -0.00  -0.01  -0.00
    16   1    -0.08   0.13   0.06    -0.02   0.03   0.01     0.02   0.08   0.04
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.09   0.53   0.17
    18   1     0.02  -0.01  -0.03    -0.00  -0.01   0.00    -0.05  -0.50  -0.21
    19   1    -0.09   0.49   0.11     0.03   0.02   0.01    -0.16  -0.00  -0.04
    20   1     0.18  -0.25  -0.42     0.05   0.02   0.01    -0.02  -0.12  -0.12
    21   1     0.14   0.26   0.03     0.25  -0.23   0.06     0.13   0.07   0.02
    22   1     0.01   0.13   0.10    -0.04   0.40  -0.28     0.02  -0.20   0.05
    23   1    -0.03   0.35  -0.03     0.25  -0.36   0.09    -0.03  -0.08   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.11    -0.07   0.11  -0.05
    25   1     0.11   0.01   0.02     0.44  -0.14   0.05    -0.00  -0.09   0.01
    26   1    -0.04   0.01   0.04    -0.31   0.01   0.17    -0.36  -0.01   0.04
    27   1    -0.14   0.01   0.07    -0.01  -0.09   0.16     0.13  -0.09   0.04
    28   1    -0.02  -0.00  -0.01    -0.00   0.00   0.00     0.01   0.01   0.01
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    30   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.02    -0.00   0.00   0.00    -0.01   0.01  -0.00
    32   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    33   1    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5993               972.2271               978.7170
 Red. masses --      1.6232                 1.4822                 1.3906
 Frc consts  --      0.8825                 0.8255                 0.7848
 IR Inten    --      0.1155                 0.0359                 0.0540
 RamAct Fr= 1--      2.4386                 2.4114                 0.6252
  Dep-P Fr= 1--      0.6629                 0.6436                 0.7321
  Dep-U Fr= 1--      0.7973                 0.7831                 0.8453
 Alpha2 Fr= 1--      0.0038                 0.0046                 0.0002
 Beta2  Fr= 1--      0.3240                 0.3147                 0.0881
 AlphaG Fr= 1--      0.0123                -0.0177                -0.0050
 Gamma2 Fr= 1--      1.4800                 0.9079                -0.8073
 Delta2 Fr= 1--      0.3867                -0.0195                 0.5076
 Raman1 Fr= 1--       9.754                  9.646                  2.501
 ROA1   Fr= 1--     154.453                 86.532                -61.260
 CID1   Fr= 1--      15.834                  8.971                -24.496
 Raman2 Fr= 1--       3.888                  3.777                  1.057
 ROA2   Fr= 1--      32.427                 21.944                -23.437
 CID2   Fr= 1--       8.339                  5.810                -22.173
 Raman3 Fr= 1--       7.777                  7.554                  2.114
 ROA3   Fr= 1--     154.453                 86.532                -61.260
 CID3   Fr= 1--      19.861                 11.455                -28.978
 RC180  Fr= 1--       0.595                  0.566                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01   0.00     0.01   0.11   0.05
     2   6    -0.01   0.03   0.02    -0.01  -0.00  -0.00    -0.00  -0.03  -0.01
     3   6     0.01  -0.04  -0.00     0.01   0.01   0.01    -0.01  -0.11  -0.04
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
     5   6     0.02   0.08   0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     6   6    -0.01  -0.09  -0.05     0.00   0.01   0.00    -0.00   0.01  -0.00
     7   6    -0.04  -0.10  -0.02    -0.02   0.02  -0.01    -0.00   0.03   0.00
     8   6     0.07   0.07   0.01    -0.07   0.06  -0.02    -0.03  -0.00  -0.01
     9   6     0.04  -0.02   0.03    -0.03  -0.12  -0.02    -0.01  -0.02  -0.01
    10   6    -0.05   0.08   0.00     0.10   0.07   0.04     0.03  -0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.10  -0.04     0.01   0.07   0.03    -0.07  -0.63  -0.22
    16   1     0.03   0.18   0.08     0.01  -0.10  -0.03     0.06   0.64   0.24
    17   1    -0.01  -0.45  -0.16     0.01   0.02  -0.00     0.00   0.04   0.02
    18   1     0.06   0.51   0.16     0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    19   1    -0.17  -0.03  -0.05    -0.03  -0.01  -0.01     0.04   0.01   0.01
    20   1    -0.06  -0.16  -0.14    -0.03   0.02   0.02     0.03   0.07   0.06
    21   1     0.12   0.07   0.02    -0.26   0.19  -0.06    -0.07   0.02  -0.02
    22   1     0.02  -0.16   0.03     0.03   0.20   0.08     0.00   0.03   0.01
    23   1    -0.01  -0.09   0.01     0.08   0.16   0.03     0.00   0.03   0.00
    24   1    -0.05   0.09  -0.05     0.21  -0.45   0.26     0.03  -0.07   0.05
    25   1    -0.04  -0.11   0.01    -0.15  -0.12  -0.05    -0.00   0.02  -0.01
    26   1    -0.40  -0.03   0.02    -0.17  -0.09  -0.12     0.09  -0.00  -0.02
    27   1     0.20  -0.11   0.02     0.56  -0.15  -0.10     0.01   0.01  -0.02
    28   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.06   0.02
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    31   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.03
    32   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.04
    33   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7872              1046.1459              1083.9346
 Red. masses --      1.9231                 2.8143                 2.1146
 Frc consts  --      1.1668                 1.8147                 1.4638
 IR Inten    --      2.6983                 3.9924                58.6672
 RamAct Fr= 1--     12.5830                 0.1073                 2.4184
  Dep-P Fr= 1--      0.2496                 0.7471                 0.6299
  Dep-U Fr= 1--      0.3995                 0.8553                 0.7730
 Alpha2 Fr= 1--      0.1493                 0.0000                 0.0053
 Beta2  Fr= 1--      0.8379                 0.0153                 0.3116
 AlphaG Fr= 1--      0.0189                 0.0002                 0.0162
 Gamma2 Fr= 1--     -0.2964                 0.0416                -1.1977
 Delta2 Fr= 1--     -1.8972                 0.1393                 1.3828
 Raman1 Fr= 1--      50.332                  0.429                  9.674
 ROA1   Fr= 1--     -89.170                  8.450                -70.728
 CID1   Fr= 1--      -1.772                 19.682                 -7.311
 Raman2 Fr= 1--      10.055                  0.184                  3.739
 ROA2   Fr= 1--       8.063                 -0.116                -39.806
 CID2   Fr= 1--       0.802                 -0.631                -10.647
 Raman3 Fr= 1--      20.110                  0.367                  7.477
 ROA3   Fr= 1--     -89.170                  8.450                -70.728
 CID3   Fr= 1--      -4.434                 23.013                 -9.459
 RC180  Fr= 1--      -0.201                  0.711                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06     0.00   0.07  -0.19     0.01   0.01  -0.03
     2   6    -0.00   0.01  -0.02    -0.03   0.01  -0.00     0.00  -0.01   0.04
     3   6     0.00   0.01   0.04     0.05  -0.07   0.19    -0.02   0.01   0.00
     4   6     0.07  -0.02  -0.04    -0.04   0.00  -0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02     0.01   0.06  -0.18     0.02   0.02  -0.05
     6   6    -0.03   0.01  -0.03     0.05  -0.07   0.19    -0.05   0.01  -0.03
     7   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01   0.00   0.03
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.04
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01   0.00   0.03
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    11   6     0.10   0.16  -0.02     0.01   0.02  -0.02     0.09   0.04   0.17
    12   6    -0.07  -0.02   0.04    -0.00   0.00   0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02     0.00  -0.00   0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06    -0.32   0.14  -0.31     0.06   0.01  -0.01
    16   1    -0.03  -0.15   0.01    -0.20  -0.11   0.36    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01    -0.31   0.13  -0.30     0.08  -0.02  -0.04
    18   1    -0.00   0.03  -0.05    -0.20  -0.11   0.38    -0.19  -0.00   0.07
    19   1     0.04   0.02   0.01     0.09   0.03   0.01    -0.20  -0.02  -0.02
    20   1    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.22   0.07   0.00
    21   1     0.03   0.02   0.01     0.02   0.02   0.01    -0.12  -0.11  -0.07
    22   1     0.00   0.01   0.01    -0.00   0.01   0.00    -0.01  -0.03  -0.04
    23   1    -0.00   0.02  -0.00    -0.00   0.02  -0.00     0.01  -0.11   0.02
    24   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.07  -0.06
    25   1     0.02  -0.00   0.00     0.02   0.00   0.00    -0.07   0.01  -0.01
    26   1    -0.01   0.00   0.01    -0.00   0.00   0.01     0.06  -0.01  -0.04
    27   1    -0.02  -0.00   0.01    -0.02   0.00   0.01     0.04   0.01  -0.04
    28   1     0.44   0.45   0.11     0.10   0.07   0.01     0.06  -0.31   0.09
    29   6    -0.12  -0.09  -0.02    -0.00  -0.02   0.01    -0.06   0.01  -0.12
    30   1    -0.01  -0.04  -0.06    -0.00  -0.00  -0.01     0.08   0.07   0.27
    31   1    -0.19  -0.27  -0.44    -0.01   0.03  -0.04    -0.04  -0.25   0.07
    32   1     0.06  -0.06  -0.23    -0.03  -0.04  -0.07     0.12   0.14   0.28
    33   1     0.22   0.17   0.08     0.02   0.06   0.03    -0.17  -0.43  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.1377              1107.2655              1138.5819
 Red. masses --      1.5649                 1.8178                 2.1576
 Frc consts  --      1.1098                 1.3131                 1.6480
 IR Inten    --     13.4805                32.1633                 6.8396
 RamAct Fr= 1--      3.6991                 7.4681                24.4197
  Dep-P Fr= 1--      0.6190                 0.1470                 0.3631
  Dep-U Fr= 1--      0.7647                 0.2563                 0.5327
 Alpha2 Fr= 1--      0.0089                 0.1163                 0.2054
 Beta2  Fr= 1--      0.4714                 0.3190                 2.1681
 AlphaG Fr= 1--     -0.0043                 0.0775                 0.1144
 Gamma2 Fr= 1--      1.6474                -0.8355                -1.4745
 Delta2 Fr= 1--      2.0971                -1.0761                -0.3861
 Raman1 Fr= 1--      14.796                 29.872                 97.679
 ROA1   Fr= 1--     225.259               -114.639               -153.912
 CID1   Fr= 1--      15.224                 -3.838                 -1.576
 Raman2 Fr= 1--       5.657                  3.827                 26.017
 ROA2   Fr= 1--      22.761                -11.443                -32.300
 CID2   Fr= 1--       4.023                 -2.990                 -1.242
 Raman3 Fr= 1--      11.314                  7.655                 52.034
 ROA3   Fr= 1--     225.259               -114.639               -153.912
 CID3   Fr= 1--      19.909                -14.976                 -2.958
 RC180  Fr= 1--       0.529                 -0.487                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01   0.01  -0.03     0.02   0.02  -0.01
     2   6     0.01  -0.01   0.04     0.01  -0.00   0.05    -0.02  -0.06   0.00
     3   6    -0.03   0.02  -0.03    -0.02  -0.01   0.01    -0.02   0.00  -0.00
     4   6    -0.04  -0.05   0.03     0.05   0.03   0.02     0.02  -0.01   0.02
     5   6     0.02   0.01  -0.01     0.03  -0.00  -0.02     0.03   0.01  -0.03
     6   6     0.00   0.01  -0.02    -0.02   0.01  -0.04    -0.03   0.02  -0.01
     7   6     0.00  -0.01   0.05     0.02  -0.02   0.07     0.02   0.10   0.04
     8   6    -0.03   0.01  -0.05    -0.04   0.02  -0.08     0.17  -0.15  -0.03
     9   6     0.01  -0.00   0.04     0.02  -0.00   0.05    -0.07   0.05  -0.06
    10   6     0.02  -0.01   0.02     0.02  -0.01   0.02    -0.08   0.07   0.08
    11   6    -0.02   0.11  -0.00    -0.01  -0.09  -0.10    -0.00   0.00  -0.01
    12   6    -0.02  -0.01   0.02     0.00  -0.06  -0.04    -0.01  -0.03  -0.01
    13   8     0.02  -0.02   0.03    -0.01   0.01  -0.03    -0.00   0.00  -0.01
    14   8     0.01  -0.01  -0.00     0.01   0.04   0.07     0.01   0.01   0.02
    15   1     0.12   0.00  -0.01    -0.03   0.03  -0.03     0.17  -0.09   0.03
    16   1    -0.10  -0.04  -0.00    -0.18   0.00   0.14    -0.15  -0.02   0.09
    17   1     0.16  -0.07   0.03     0.14   0.02   0.03     0.17  -0.03   0.02
    18   1    -0.04   0.00   0.01    -0.08   0.02   0.00    -0.17  -0.06   0.07
    19   1    -0.28  -0.01  -0.02    -0.38   0.01  -0.02    -0.08  -0.10   0.01
    20   1     0.27   0.08  -0.01     0.40   0.10  -0.03    -0.22  -0.01   0.02
    21   1    -0.15  -0.11  -0.08    -0.20  -0.15  -0.12     0.22  -0.44  -0.03
    22   1    -0.00  -0.06  -0.05    -0.01  -0.08  -0.07    -0.03   0.29  -0.09
    23   1     0.01  -0.15   0.02     0.01  -0.22   0.03     0.07   0.15  -0.02
    24   1    -0.02   0.09  -0.08    -0.03   0.13  -0.11     0.11  -0.10   0.00
    25   1    -0.07   0.01  -0.01    -0.10   0.02  -0.02    -0.40  -0.08  -0.02
    26   1     0.08  -0.02  -0.05     0.11  -0.02  -0.06    -0.23  -0.07  -0.11
    27   1     0.05   0.01  -0.05     0.06   0.02  -0.06     0.21  -0.04  -0.07
    28   1    -0.21   0.38   0.02     0.10  -0.04  -0.07    -0.06   0.07  -0.00
    29   6     0.07  -0.09  -0.03    -0.05   0.06   0.08    -0.00   0.00   0.00
    30   1    -0.03  -0.04  -0.09    -0.03  -0.03  -0.14    -0.02  -0.02  -0.08
    31   1     0.11   0.35   0.17    -0.10  -0.21  -0.22    -0.00  -0.01  -0.01
    32   1    -0.32  -0.26  -0.23     0.24   0.16   0.04     0.01   0.01   0.00
    33   1    -0.19   0.10  -0.02     0.26   0.12   0.13     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.1833              1161.5240              1193.9285
 Red. masses --      1.5742                 2.0478                 1.7717
 Frc consts  --      1.2227                 1.6278                 1.4880
 IR Inten    --     39.8987               146.6821                10.4164
 RamAct Fr= 1--      3.2326                 1.4075                 4.1471
  Dep-P Fr= 1--      0.5564                 0.6348                 0.4863
  Dep-U Fr= 1--      0.7150                 0.7766                 0.6544
 Alpha2 Fr= 1--      0.0119                 0.0029                 0.0218
 Beta2  Fr= 1--      0.3852                 0.1822                 0.4523
 AlphaG Fr= 1--     -0.0178                 0.0138                -0.0010
 Gamma2 Fr= 1--     -0.6938                -1.6257                -1.8895
 Delta2 Fr= 1--     -1.2082                -0.6057                 0.7002
 Raman1 Fr= 1--      12.930                  5.630                 16.588
 ROA1   Fr= 1--    -105.266               -175.444               -158.986
 CID1   Fr= 1--      -8.141                -31.162                 -9.584
 Raman2 Fr= 1--       4.623                  2.186                  5.427
 ROA2   Fr= 1--      -6.985                -34.170                -50.949
 CID2   Fr= 1--      -1.511                -15.629                 -9.387
 Raman3 Fr= 1--       9.245                  4.373                 10.855
 ROA3   Fr= 1--    -105.266               -175.444               -158.986
 CID3   Fr= 1--     -11.386                -40.124                -14.647
 RC180  Fr= 1--       0.430                  0.553                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.01    -0.05  -0.00   0.02     0.00   0.00  -0.01
     2   6    -0.01  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.01
     3   6     0.05  -0.01   0.01     0.06  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.04   0.02  -0.03     0.05  -0.02  -0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.01   0.03    -0.04   0.01  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
     7   6     0.01   0.02   0.07     0.01  -0.00   0.02    -0.02  -0.04  -0.05
     8   6     0.03  -0.04  -0.06     0.00  -0.00  -0.02     0.12   0.14  -0.02
     9   6    -0.01   0.02   0.02    -0.00   0.00   0.01    -0.10  -0.06   0.04
    10   6    -0.01   0.02   0.04    -0.00   0.00   0.01    -0.05  -0.10   0.05
    11   6    -0.01  -0.01  -0.02     0.03   0.03   0.12     0.00  -0.00  -0.00
    12   6     0.01   0.07   0.04    -0.01  -0.14  -0.09     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.00
    15   1    -0.36   0.06  -0.11    -0.31   0.05  -0.07    -0.01   0.02  -0.01
    16   1     0.31   0.04  -0.16     0.24   0.01  -0.13    -0.02  -0.00   0.01
    17   1    -0.30   0.05  -0.05    -0.36   0.06  -0.14    -0.01   0.00  -0.00
    18   1     0.44   0.04  -0.26     0.19   0.02  -0.12     0.02   0.00  -0.02
    19   1    -0.22   0.02   0.02    -0.05   0.01   0.00    -0.20  -0.16  -0.09
    20   1     0.14   0.02  -0.04     0.05   0.00  -0.01     0.04   0.01  -0.01
    21   1    -0.03  -0.20  -0.08    -0.01  -0.03  -0.02     0.28   0.33   0.03
    22   1    -0.02   0.04  -0.08    -0.00   0.01  -0.02    -0.04   0.33  -0.11
    23   1     0.03  -0.09   0.01     0.01  -0.03   0.01     0.26  -0.15   0.11
    24   1     0.02   0.05  -0.07     0.00   0.01  -0.02     0.23  -0.25   0.02
    25   1    -0.19  -0.02  -0.02    -0.04   0.00  -0.00    -0.23   0.22   0.00
    26   1    -0.02  -0.04  -0.08     0.01  -0.01  -0.02     0.34   0.01  -0.03
    27   1     0.12  -0.01  -0.06     0.02   0.00  -0.02    -0.26   0.16  -0.09
    28   1     0.13  -0.16  -0.03    -0.22   0.25   0.12     0.00  -0.01  -0.00
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09    -0.00  -0.00   0.00
    30   1     0.05   0.07   0.23    -0.08  -0.14  -0.44     0.00   0.00   0.01
    31   1     0.00   0.04  -0.01     0.02  -0.07   0.14    -0.00   0.00  -0.00
    32   1    -0.03  -0.04  -0.05     0.01   0.07   0.17    -0.00  -0.00  -0.00
    33   1     0.03   0.07   0.04    -0.16  -0.25  -0.17     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8261              1221.8768              1236.3067
 Red. masses --      1.2711                 2.1347                 2.3457
 Frc consts  --      1.0998                 1.8778                 2.1124
 IR Inten    --      3.7377                 8.9347                 2.3819
 RamAct Fr= 1--     62.5334                44.8189                38.6980
  Dep-P Fr= 1--      0.1110                 0.1601                 0.1265
  Dep-U Fr= 1--      0.1998                 0.2760                 0.2245
 Alpha2 Fr= 1--      1.0657                 0.6753                 0.6347
 Beta2  Fr= 1--      2.0825                 2.0615                 1.4480
 AlphaG Fr= 1--     -0.2730                -0.0407                 0.0903
 Gamma2 Fr= 1--     -2.8525                 0.8044                 1.7029
 Delta2 Fr= 1--      0.2133                -0.1452                 0.0283
 Raman1 Fr= 1--     250.134                179.276                154.792
 ROA1   Fr= 1--    -267.010                 72.576                164.385
 CID1   Fr= 1--      -1.067                  0.405                  1.062
 Raman2 Fr= 1--      24.990                 24.738                 17.376
 ROA2   Fr= 1--     -70.166                 20.467                 40.644
 CID2   Fr= 1--      -2.808                  0.827                  2.339
 Raman3 Fr= 1--      49.980                 49.476                 34.753
 ROA3   Fr= 1--    -267.010                 72.576                164.385
 CID3   Fr= 1--      -5.342                  1.467                  4.730
 RC180  Fr= 1--      -0.600                 -0.448                 -0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.04     0.03   0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.02
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.00     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.03    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.06
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.03
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.04   0.00   0.01    -0.10  -0.01  -0.02     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.00   0.00   0.00
    13   8    -0.00   0.01  -0.01     0.01  -0.02   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.01  -0.04    -0.00   0.00  -0.01
    15   1    -0.38   0.10  -0.18    -0.49   0.09  -0.10    -0.30   0.08  -0.15
    16   1     0.38   0.07  -0.30     0.21   0.02  -0.11    -0.31  -0.01   0.11
    17   1     0.50  -0.13   0.23     0.03   0.01  -0.05    -0.41   0.06  -0.07
    18   1    -0.30  -0.06   0.26    -0.42  -0.03   0.20    -0.16  -0.03   0.14
    19   1    -0.07  -0.00  -0.00     0.02  -0.01  -0.01    -0.50  -0.19  -0.08
    20   1    -0.04  -0.00   0.00     0.08   0.03   0.03    -0.24  -0.02   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00   0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.02   0.05
    28   1     0.22  -0.02   0.03    -0.52   0.04  -0.09    -0.13   0.02  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.01   0.00   0.01
    30   1    -0.01  -0.02  -0.06     0.03   0.06   0.19     0.01   0.02   0.07
    31   1    -0.00  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.04
    32   1     0.03   0.03   0.03    -0.07  -0.06  -0.07     0.01  -0.00  -0.03
    33   1     0.01  -0.03  -0.02    -0.01   0.10   0.06     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7401              1280.4584              1309.5396
 Red. masses --      1.6066                 1.7882                 1.6120
 Frc consts  --      1.4761                 1.7274                 1.6288
 IR Inten    --      1.3063                 2.5781                 3.7615
 RamAct Fr= 1--      8.0325                 4.6566                 3.7678
  Dep-P Fr= 1--      0.4988                 0.5136                 0.6487
  Dep-U Fr= 1--      0.6656                 0.6787                 0.7869
 Alpha2 Fr= 1--      0.0399                 0.0215                 0.0069
 Beta2  Fr= 1--      0.8911                 0.5267                 0.4941
 AlphaG Fr= 1--     -0.0809                -0.0124                -0.0241
 Gamma2 Fr= 1--     -3.9012                 1.1313                -2.6773
 Delta2 Fr= 1--      0.0923                -0.4549                 1.1326
 Raman1 Fr= 1--      32.130                 18.627                 15.071
 ROA1   Fr= 1--    -371.564                 94.047               -220.781
 CID1   Fr= 1--     -11.564                  5.049                -14.649
 Raman2 Fr= 1--      10.693                  6.321                  5.930
 ROA2   Fr= 1--     -94.368                 30.790                -73.316
 CID2   Fr= 1--      -8.825                  4.871                -12.364
 Raman3 Fr= 1--      21.387                 12.642                 11.859
 ROA3   Fr= 1--    -371.564                 94.047               -220.781
 CID3   Fr= 1--     -17.373                  7.440                -18.616
 RC180  Fr= 1--       0.331                  0.357                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.04     0.02  -0.01   0.04     0.03  -0.01   0.02
     2   6    -0.06  -0.01   0.08     0.01   0.01  -0.03     0.00   0.01  -0.03
     3   6     0.03  -0.00  -0.01    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.04  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.09
     5   6    -0.01   0.01  -0.03     0.04  -0.02   0.04     0.03  -0.01   0.03
     6   6     0.01   0.00  -0.03    -0.04  -0.00   0.01    -0.03  -0.01   0.02
     7   6     0.01  -0.00  -0.06    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     8   6     0.02   0.00   0.14     0.00   0.00   0.02    -0.00   0.00   0.00
     9   6    -0.00  -0.02  -0.09     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    10   6    -0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.15   0.05   0.04    -0.07  -0.07   0.00
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.02     0.01  -0.10  -0.06
    13   8     0.00   0.00   0.00    -0.02   0.00  -0.05     0.02   0.00   0.05
    14   8     0.00   0.00   0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1     0.01   0.02  -0.02    -0.21   0.04  -0.04    -0.12   0.03  -0.03
    16   1     0.05   0.01  -0.02    -0.23  -0.05   0.19    -0.12  -0.02   0.10
    17   1     0.12  -0.01   0.02     0.10  -0.04   0.06     0.10  -0.02   0.06
    18   1     0.20   0.05  -0.15     0.04   0.02  -0.05     0.08   0.01  -0.05
    19   1    -0.32  -0.29  -0.14    -0.13  -0.05  -0.03    -0.04   0.00  -0.01
    20   1     0.47   0.28   0.17     0.10   0.05   0.02     0.10   0.05   0.02
    21   1     0.09  -0.23   0.16     0.02  -0.06   0.02     0.07  -0.05   0.02
    22   1     0.03   0.06   0.16     0.01   0.01   0.02     0.00   0.00   0.01
    23   1    -0.05   0.31  -0.07    -0.01   0.04  -0.01    -0.01   0.02  -0.01
    24   1    -0.03  -0.15   0.15    -0.01  -0.02   0.02    -0.01  -0.01   0.01
    25   1     0.14  -0.02   0.01     0.01  -0.00   0.00    -0.01  -0.00   0.00
    26   1    -0.05   0.05   0.11    -0.00   0.01   0.01     0.01  -0.00  -0.00
    27   1    -0.08  -0.04   0.10    -0.01  -0.01   0.01     0.01  -0.00  -0.00
    28   1     0.03   0.01  -0.00     0.53  -0.38   0.07     0.28   0.51   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.00   0.00   0.00    -0.09  -0.17  -0.43     0.09   0.23   0.58
    31   1    -0.01  -0.02  -0.02     0.06   0.12   0.07     0.07   0.02   0.16
    32   1     0.03   0.01  -0.00    -0.14  -0.08   0.01    -0.02   0.05   0.15
    33   1     0.02   0.00   0.01    -0.15   0.02  -0.04    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.8183              1349.4374              1363.4578
 Red. masses --      1.3454                 2.1942                 1.5518
 Frc consts  --      1.3787                 2.3542                 1.6997
 IR Inten    --      1.6020                 1.2761                 1.3672
 RamAct Fr= 1--     27.4480                 6.6397                 4.0173
  Dep-P Fr= 1--      0.2891                 0.5812                 0.4712
  Dep-U Fr= 1--      0.4486                 0.7352                 0.6406
 Alpha2 Fr= 1--      0.2907                 0.0210                 0.0226
 Beta2  Fr= 1--      2.0521                 0.8135                 0.4289
 AlphaG Fr= 1--     -0.0781                 0.1377                 0.0332
 Gamma2 Fr= 1--     -3.9660                 8.9678                 0.1390
 Delta2 Fr= 1--     -0.2853                 3.6335                -0.0274
 Raman1 Fr= 1--     109.792                 26.559                 16.069
 ROA1   Fr= 1--    -389.867                977.181                 12.468
 CID1   Fr= 1--      -3.551                 36.793                  0.776
 Raman2 Fr= 1--      24.626                  9.762                  5.147
 ROA2   Fr= 1--     -92.902                186.160                  3.555
 CID2   Fr= 1--      -3.773                 19.069                  0.691
 Raman3 Fr= 1--      49.251                 19.525                 10.293
 ROA3   Fr= 1--    -389.867                977.181                 12.468
 CID3   Fr= 1--      -7.916                 50.048                  1.211
 RC180  Fr= 1--      -0.103                  0.470                  0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.01    -0.07   0.02  -0.03    -0.09   0.01  -0.02
     2   6     0.05   0.03  -0.02     0.03  -0.07   0.18     0.01   0.01  -0.00
     3   6    -0.02   0.00  -0.00     0.10   0.02  -0.08     0.04   0.00  -0.02
     4   6    -0.00   0.00  -0.00     0.02  -0.02   0.06     0.03  -0.03   0.10
     5   6    -0.00  -0.01   0.02    -0.12   0.03  -0.05    -0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.07   0.02  -0.06     0.08   0.01  -0.05
     7   6    -0.11  -0.05  -0.03    -0.00   0.03  -0.05    -0.04  -0.03   0.02
     8   6    -0.05  -0.02  -0.04    -0.04  -0.07  -0.03     0.04   0.05   0.00
     9   6     0.02  -0.00  -0.01     0.01   0.02   0.03    -0.01  -0.01  -0.01
    10   6     0.00   0.02   0.06     0.01   0.02   0.02    -0.01  -0.01  -0.01
    11   6     0.01   0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6    -0.00   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.02   0.01    -0.22   0.05  -0.09     0.33  -0.08   0.14
    16   1     0.00   0.01  -0.02    -0.34  -0.05   0.23     0.16   0.03  -0.10
    17   1    -0.10   0.02  -0.02     0.33  -0.08   0.13    -0.24   0.05  -0.07
    18   1    -0.08  -0.00   0.06     0.14   0.02  -0.11    -0.33  -0.04   0.24
    19   1     0.29   0.22   0.07     0.25  -0.02   0.01     0.13   0.17   0.06
    20   1     0.45   0.28   0.19    -0.18  -0.01   0.04     0.05   0.01   0.02
    21   1     0.61  -0.06   0.13     0.22   0.46   0.06    -0.18  -0.32  -0.07
    22   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.09     0.01   0.03   0.04
    23   1    -0.06   0.07  -0.03    -0.04  -0.08   0.01     0.05   0.05   0.00
    24   1    -0.04   0.02   0.00    -0.01   0.08  -0.05     0.02  -0.03  -0.00
    25   1    -0.14  -0.02   0.01    -0.03  -0.06   0.00     0.03   0.05   0.00
    26   1     0.06  -0.04  -0.11    -0.02  -0.03  -0.07     0.02   0.02   0.03
    27   1     0.16  -0.00  -0.08     0.07  -0.01  -0.01    -0.02   0.01  -0.02
    28   1    -0.07  -0.04  -0.03     0.27   0.08   0.07     0.53   0.14   0.13
    29   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.01  -0.02  -0.05    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.01  -0.01  -0.02     0.02   0.01   0.01     0.04   0.02   0.07
    32   1     0.01  -0.00  -0.02    -0.02   0.00   0.02    -0.03   0.01   0.09
    33   1     0.02   0.01   0.01    -0.06  -0.03  -0.03    -0.06  -0.01  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.2949              1374.7353              1392.5279
 Red. masses --      1.4812                 1.3002                 1.9960
 Frc consts  --      1.6435                 1.4477                 2.2804
 IR Inten    --      0.6630                 2.0564                42.0235
 RamAct Fr= 1--      8.6712                23.4935                 5.9306
  Dep-P Fr= 1--      0.2351                 0.4989                 0.7383
  Dep-U Fr= 1--      0.3806                 0.6657                 0.8495
 Alpha2 Fr= 1--      0.1071                 0.1166                 0.0012
 Beta2  Fr= 1--      0.5501                 2.6067                 0.8396
 AlphaG Fr= 1--      0.2336                 0.1039                 0.0143
 Gamma2 Fr= 1--      3.6671                 0.6017                 1.8317
 Delta2 Fr= 1--      0.0307                -2.1570                -2.2812
 Raman1 Fr= 1--      34.685                 93.974                 23.723
 ROA1   Fr= 1--     353.023                -11.264                102.841
 CID1   Fr= 1--      10.178                 -0.120                  4.335
 Raman2 Fr= 1--       6.601                 31.280                 10.076
 ROA2   Fr= 1--      87.765                 31.696                 62.210
 CID2   Fr= 1--      13.295                  1.013                  6.174
 Raman3 Fr= 1--      13.202                 62.560                 20.152
 ROA3   Fr= 1--     353.023                -11.264                102.841
 CID3   Fr= 1--      26.739                 -0.180                  5.103
 RC180  Fr= 1--      -0.239                  0.331                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.01  -0.01     0.03  -0.01   0.01
     2   6    -0.02  -0.01   0.00    -0.02   0.02  -0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00   0.00    -0.03  -0.01   0.02    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.02     0.01  -0.01   0.03    -0.00   0.02  -0.01
     5   6     0.00   0.00  -0.01     0.04  -0.01   0.01     0.02  -0.00  -0.00
     6   6     0.01   0.00  -0.00     0.00   0.00  -0.01    -0.03  -0.00   0.01
     7   6     0.10   0.03   0.02     0.04   0.04  -0.01    -0.00  -0.00  -0.00
     8   6    -0.14   0.08  -0.02    -0.03  -0.11   0.01     0.00   0.00   0.00
     9   6     0.04   0.01  -0.03     0.00   0.02   0.03    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.04     0.01   0.03  -0.00    -0.00  -0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01     0.02  -0.17  -0.02
    12   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.04   0.18   0.11
    13   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.03
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
    15   1     0.07  -0.02   0.02     0.20  -0.05   0.07    -0.12   0.03  -0.05
    16   1     0.05   0.00  -0.03     0.22   0.03  -0.15    -0.02   0.01   0.01
    17   1    -0.01   0.01  -0.01    -0.23   0.06  -0.09     0.02   0.03   0.00
    18   1    -0.03  -0.02   0.02    -0.19  -0.03   0.12     0.08   0.02  -0.07
    19   1    -0.24  -0.18  -0.07    -0.32  -0.29  -0.11     0.02   0.02   0.00
    20   1    -0.36  -0.23  -0.15     0.14   0.07  -0.02    -0.01  -0.00   0.01
    21   1     0.60  -0.34   0.15     0.16   0.62   0.09    -0.02  -0.02  -0.01
    22   1     0.02  -0.19   0.10    -0.01   0.03  -0.09    -0.00  -0.01   0.00
    23   1    -0.08  -0.08  -0.06    -0.05  -0.05   0.01     0.00  -0.01  -0.00
    24   1    -0.03  -0.09   0.17    -0.03   0.08  -0.04     0.01  -0.01   0.01
    25   1    -0.04   0.06   0.02    -0.05  -0.11  -0.02     0.01   0.00   0.00
    26   1     0.12  -0.03  -0.06    -0.06  -0.02  -0.03     0.01   0.00   0.00
    27   1     0.07   0.04  -0.11     0.01  -0.03   0.07     0.00  -0.00  -0.00
    28   1     0.07   0.02   0.02     0.18   0.06   0.05    -0.09   0.74   0.17
    29   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.06  -0.02
    30   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.07  -0.17  -0.41
    31   1     0.00   0.00   0.01     0.02   0.01   0.04     0.03  -0.17   0.10
    32   1    -0.00   0.00   0.01    -0.01   0.01   0.05    -0.06   0.03   0.01
    33   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.03  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.6256              1416.0924              1423.3031
 Red. masses --      1.2575                 1.2211                 1.2351
 Frc consts  --      1.4597                 1.4427                 1.4741
 IR Inten    --      5.7652                11.3766                 6.4359
 RamAct Fr= 1--      0.0927                 1.7191                 2.1309
  Dep-P Fr= 1--      0.6404                 0.4734                 0.3939
  Dep-U Fr= 1--      0.7808                 0.6426                 0.5652
 Alpha2 Fr= 1--      0.0002                 0.0096                 0.0161
 Beta2  Fr= 1--      0.0121                 0.1841                 0.2007
 AlphaG Fr= 1--      0.0016                 0.0057                 0.0074
 Gamma2 Fr= 1--     -0.1337                -0.1790                -0.0110
 Delta2 Fr= 1--     -0.0190                 0.1181                -0.1637
 Raman1 Fr= 1--       0.371                  6.877                  8.523
 ROA1   Fr= 1--     -13.444                -13.408                 -6.300
 CID1   Fr= 1--     -36.273                 -1.950                 -0.739
 Raman2 Fr= 1--       0.145                  2.209                  2.409
 ROA2   Fr= 1--      -3.057                 -5.242                  1.045
 CID2   Fr= 1--     -21.125                 -2.373                  0.434
 Raman3 Fr= 1--       0.289                  4.419                  4.818
 ROA3   Fr= 1--     -13.444                -13.408                 -6.300
 CID3   Fr= 1--     -46.456                 -3.034                 -1.308
 RC180  Fr= 1--       0.562                  0.285                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.09  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02   0.00     0.00  -0.00   0.00    -0.09   0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.01  -0.00   0.00    -0.05   0.01  -0.02    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.03  -0.01   0.01     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.02   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.02   0.01   0.00    -0.07   0.00  -0.01
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.00    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.02  -0.00
    22   1    -0.07  -0.33   0.15     0.00   0.00  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34  -0.00    -0.00   0.01   0.00    -0.14   0.40   0.03
    24   1     0.21  -0.23   0.19    -0.00   0.00  -0.00    -0.19   0.26  -0.27
    25   1     0.41  -0.10   0.14     0.00   0.00   0.00     0.37  -0.02   0.14
    26   1     0.39   0.11  -0.11    -0.00  -0.00   0.00     0.35   0.09  -0.10
    27   1     0.35  -0.21  -0.09    -0.00   0.00  -0.00     0.31  -0.15  -0.15
    28   1     0.01  -0.01  -0.00    -0.02   0.05   0.01     0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00     0.05   0.38   0.37    -0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00     0.35   0.17   0.44    -0.00  -0.00  -0.00
    33   1     0.00   0.01   0.00     0.30   0.48   0.12    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1284              1485.6355              1490.3193
 Red. masses --      2.4823                 1.0759                 1.0465
 Frc consts  --      3.1181                 1.3990                 1.3695
 IR Inten    --      8.3591                 0.4670                 1.7558
 RamAct Fr= 1--      0.7359                 1.9559                11.5637
  Dep-P Fr= 1--      0.6750                 0.5898                 0.7179
  Dep-U Fr= 1--      0.8060                 0.7420                 0.8358
 Alpha2 Fr= 1--      0.0010                 0.0058                 0.0064
 Beta2  Fr= 1--      0.0989                 0.2419                 1.6107
 AlphaG Fr= 1--      0.0117                 0.0445                -0.0124
 Gamma2 Fr= 1--     -3.4573                 1.3653                 2.6729
 Delta2 Fr= 1--      1.4827                -0.4061                -0.3880
 Raman1 Fr= 1--       2.944                  7.824                 46.255
 ROA1   Fr= 1--    -284.454                118.070                244.180
 CID1   Fr= 1--     -96.637                 15.091                  5.279
 Raman2 Fr= 1--       1.186                  2.903                 19.329
 ROA2   Fr= 1--     -94.837                 36.015                 67.252
 CID2   Fr= 1--     -79.949                 12.408                  3.479
 Raman3 Fr= 1--       2.372                  5.805                 38.658
 ROA3   Fr= 1--    -284.454                118.070                244.180
 CID3   Fr= 1--    -119.900                 20.339                  6.316
 RC180  Fr= 1--       0.612                  0.484                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04     0.05  -0.03  -0.03     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00     0.01   0.03   0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1    -0.29   0.11  -0.22     0.02  -0.00   0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.31    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02    -0.25   0.38  -0.07    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09    -0.19   0.06   0.40    -0.08   0.03   0.18
    21   1    -0.01  -0.03  -0.01     0.03   0.01   0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03    -0.01  -0.13   0.20    -0.08  -0.25  -0.35
    23   1    -0.01   0.01  -0.00     0.32   0.15   0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.01     0.11   0.07  -0.24     0.32  -0.12  -0.12
    25   1     0.02   0.04   0.01    -0.02  -0.40  -0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00     0.10  -0.08  -0.28     0.13   0.23   0.43
    27   1    -0.01   0.03  -0.05    -0.18   0.04   0.17     0.16  -0.29   0.25
    28   1     0.35  -0.07   0.02    -0.01   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.01   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07     0.00  -0.00   0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    33   1    -0.09   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1482              1497.7682              1498.7956
 Red. masses --      1.0467                 1.0755                 1.0551
 Frc consts  --      1.3731                 1.4215                 1.3965
 IR Inten    --      4.6917                 2.3269                 9.5376
 RamAct Fr= 1--      5.9174                 4.0877                 5.9213
  Dep-P Fr= 1--      0.6006                 0.7018                 0.6277
  Dep-U Fr= 1--      0.7505                 0.8248                 0.7713
 Alpha2 Fr= 1--      0.0164                 0.0034                 0.0132
 Beta2  Fr= 1--      0.7401                 0.5619                 0.7612
 AlphaG Fr= 1--      0.0099                 0.0008                 0.0776
 Gamma2 Fr= 1--     -0.4568                 0.4952                 0.5306
 Delta2 Fr= 1--     -1.2469                -1.2999                 2.1101
 Raman1 Fr= 1--      23.670                 16.351                 23.685
 ROA1   Fr= 1--     -83.756                  5.939                118.457
 CID1   Fr= 1--      -3.539                  0.363                  5.001
 Raman2 Fr= 1--       8.882                  6.743                  9.134
 ROA2   Fr= 1--      -0.988                 22.283                 -4.147
 CID2   Fr= 1--      -0.111                  3.305                 -0.454
 Raman3 Fr= 1--      17.763                 13.485                 18.268
 ROA3   Fr= 1--     -83.756                  5.939                118.457
 CID3   Fr= 1--      -4.715                  0.440                  6.484
 RC180  Fr= 1--       0.501                  0.650                  0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.04  -0.03  -0.03    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.00  -0.01     0.00   0.00   0.00    -0.02   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.01     0.03  -0.00   0.02    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.24   0.38  -0.07     0.04  -0.05   0.01
    20   1     0.00  -0.00  -0.00    -0.14   0.10   0.43     0.01  -0.01  -0.05
    21   1     0.00  -0.00   0.00    -0.05   0.07  -0.00     0.01  -0.01   0.00
    22   1    -0.00  -0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.02   0.02
    23   1     0.00   0.01   0.00    -0.31  -0.21  -0.09     0.04   0.03   0.01
    24   1     0.01  -0.00  -0.01    -0.12  -0.09   0.29     0.02   0.01  -0.04
    25   1    -0.00  -0.00  -0.00     0.16   0.24   0.06    -0.02  -0.02  -0.01
    26   1     0.00   0.00   0.00    -0.20  -0.09  -0.02     0.02   0.01   0.01
    27   1     0.00  -0.01   0.01     0.04   0.16  -0.30    -0.00  -0.02   0.03
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.01  -0.03    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.00  -0.47  -0.10     0.01  -0.05   0.07     0.08  -0.33   0.56
    32   1    -0.47  -0.08   0.51    -0.05  -0.02  -0.02    -0.31  -0.12  -0.20
    33   1    -0.18   0.48   0.06     0.08  -0.01   0.01     0.61  -0.10   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4930              1511.5411              1551.6388
 Red. masses --      1.0527                 1.0509                 2.4468
 Frc consts  --      1.4039                 1.4147                 3.4708
 IR Inten    --      4.7131                12.5894                26.1709
 RamAct Fr= 1--      7.7595                 1.3782                 0.1908
  Dep-P Fr= 1--      0.7412                 0.4644                 0.6919
  Dep-U Fr= 1--      0.8514                 0.6343                 0.8179
 Alpha2 Fr= 1--      0.0012                 0.0080                 0.0002
 Beta2  Fr= 1--      1.1010                 0.1457                 0.0260
 AlphaG Fr= 1--      0.0097                -0.0041                 0.0057
 Gamma2 Fr= 1--     -0.7444                -1.7527                 0.2724
 Delta2 Fr= 1--      0.2607                -0.4009                 0.1228
 Raman1 Fr= 1--      31.038                  5.513                  0.763
 ROA1   Fr= 1--     -63.120               -181.086                 30.077
 CID1   Fr= 1--      -2.034                -32.849                 39.410
 Raman2 Fr= 1--      13.212                  1.748                  0.312
 ROA2   Fr= 1--     -19.950                -38.857                  5.554
 CID2   Fr= 1--      -1.510                -22.226                 17.796
 Raman3 Fr= 1--      26.425                  3.496                  0.624
 ROA3   Fr= 1--     -63.120               -181.086                 30.077
 CID3   Fr= 1--      -2.389                -51.792                 48.187
 RC180  Fr= 1--       0.703                  0.269                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00  -0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.01   0.01  -0.00    -0.01  -0.00  -0.01     0.43  -0.08   0.10
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.24
    17   1    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.43  -0.08   0.10
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.22
    19   1     0.02   0.05   0.00    -0.06   0.12  -0.01    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.02    -0.06   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.06   0.28  -0.07     0.08   0.21   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.05     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.35    -0.33   0.19   0.01    -0.02   0.01   0.00
    25   1    -0.20  -0.40  -0.08    -0.15   0.30  -0.05    -0.01   0.01  -0.00
    26   1     0.30   0.09  -0.06     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.19   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.01  -0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.1596              1658.1202              1805.9255
 Red. masses --      6.0232                 5.7989                 9.5438
 Frc consts  --      9.2922                 9.3935                18.3389
 IR Inten    --      0.0137                 0.9588               273.1766
 RamAct Fr= 1--      1.4473               186.4774                20.9850
  Dep-P Fr= 1--      0.6382                 0.4668                 0.2035
  Dep-U Fr= 1--      0.7792                 0.6365                 0.3382
 Alpha2 Fr= 1--      0.0029                 1.0668                 0.2823
 Beta2  Fr= 1--      0.1879                19.7818                 1.1830
 AlphaG Fr= 1--     -0.0617                -0.1887                -0.7014
 Gamma2 Fr= 1--      0.1783                -1.4283                -4.0422
 Delta2 Fr= 1--     -0.0452                -1.1667                 1.0584
 Raman1 Fr= 1--       5.789                745.909                 83.940
 ROA1   Fr= 1--      15.665               -174.447               -354.179
 CID1   Fr= 1--       2.706                 -0.234                 -4.219
 Raman2 Fr= 1--       2.255                237.382                 14.196
 ROA2   Fr= 1--       4.640                -24.945               -105.480
 CID2   Fr= 1--       2.057                 -0.105                 -7.430
 Raman3 Fr= 1--       4.511                474.764                 28.391
 ROA3   Fr= 1--      15.665               -174.447               -354.179
 CID3   Fr= 1--       3.473                 -0.367                -12.475
 RC180  Fr= 1--       0.558                  0.273                 -0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.08   0.18     0.30  -0.04   0.04    -0.01   0.00  -0.00
     2   6    -0.04   0.12  -0.32    -0.21   0.01   0.02     0.00  -0.00   0.00
     3   6     0.08   0.07  -0.21    -0.27  -0.01   0.11     0.01  -0.00   0.00
     4   6     0.04  -0.12   0.33     0.19  -0.01  -0.02    -0.02   0.00  -0.00
     5   6    -0.11   0.08  -0.18    -0.29   0.04  -0.04     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.28   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.01  -0.01   0.04     0.03  -0.00  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.31   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.17  -0.38
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.30   0.02   0.03    -0.31   0.10  -0.19     0.02  -0.00   0.00
    16   1    -0.32   0.01   0.06     0.26   0.07  -0.28     0.02  -0.02  -0.01
    17   1     0.29  -0.02  -0.04     0.29  -0.10   0.18    -0.02   0.01  -0.01
    18   1     0.30  -0.01  -0.05    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.24  -0.01  -0.03     0.01   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.16   0.04  -0.00     0.03   0.01   0.01     0.00   0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    23   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    25   1     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00   0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   1     0.28  -0.04   0.01    -0.02   0.01   0.00    -0.11   0.20  -0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.00     0.09   0.16   0.43
    31   1     0.00  -0.02   0.01     0.00   0.02   0.02     0.02  -0.03   0.01
    32   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00   0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.0980              3018.6726              3020.6560
 Red. masses --      1.0813                 1.0501                 1.0406
 Frc consts  --      5.7455                 5.6378                 5.5941
 IR Inten    --      3.8294                 8.6114                43.1538
 RamAct Fr= 1--    144.1863                16.3073                36.8670
  Dep-P Fr= 1--      0.2048                 0.6871                 0.2633
  Dep-U Fr= 1--      0.3399                 0.8145                 0.4168
 Alpha2 Fr= 1--      1.9334                 0.0180                 0.4209
 Beta2  Fr= 1--      8.1688                 2.2138                 2.5611
 AlphaG Fr= 1--      1.2752                 0.0656                -0.2466
 Gamma2 Fr= 1--     11.6560                -4.8755                 0.7155
 Delta2 Fr= 1--      6.7519                -2.2911                -4.1089
 Raman1 Fr= 1--     576.745                 65.229                147.468
 ROA1   Fr= 1--    1335.035               -541.362                -62.800
 CID1   Fr= 1--       2.315                 -8.299                 -0.426
 Raman2 Fr= 1--      98.025                 26.566                 30.733
 ROA2   Fr= 1--     225.728                -98.684                 50.042
 CID2   Fr= 1--       2.303                 -3.715                  1.628
 Raman3 Fr= 1--     196.051                 53.131                 61.467
 ROA3   Fr= 1--    1335.035               -541.362                -62.800
 CID3   Fr= 1--       6.810                -10.189                 -1.022
 RC180  Fr= 1--      -0.320                  0.629                 -0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.08     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.05   0.01  -0.23    -0.11  -0.03   0.52     0.06   0.01  -0.28
    20   1     0.00  -0.01   0.01    -0.19   0.48  -0.21     0.10  -0.24   0.11
    21   1    -0.23  -0.03   0.91    -0.02  -0.00   0.09     0.00   0.00  -0.01
    22   1    -0.00   0.00   0.00    -0.02   0.00   0.00     0.28  -0.03  -0.04
    23   1     0.04   0.01  -0.17     0.01   0.00  -0.06    -0.12  -0.03   0.53
    24   1    -0.01  -0.00  -0.00     0.01   0.01   0.01    -0.17  -0.25  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.42     0.11   0.01  -0.38
    26   1    -0.01   0.04  -0.01     0.08  -0.29   0.13     0.08  -0.27   0.12
    27   1    -0.02  -0.03  -0.02     0.14   0.22   0.15     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9855              3047.2654              3056.5326
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0735
 IR Inten    --     47.1351                25.5373                15.4116
 RamAct Fr= 1--    446.7181               252.2141                34.6686
  Dep-P Fr= 1--      0.0106                 0.0717                 0.6999
  Dep-U Fr= 1--      0.0210                 0.1338                 0.8234
 Alpha2 Fr= 1--      9.6838                 4.7298                 0.0303
 Beta2  Fr= 1--      1.5636                 5.6248                 4.7578
 AlphaG Fr= 1--     -1.2818                -0.3930                -0.2543
 Gamma2 Fr= 1--     -2.0190                 0.8318                -0.4782
 Delta2 Fr= 1--     -0.1413                 4.2901                 2.4087
 Raman1 Fr= 1--    1786.872               1008.857                138.674
 ROA1   Fr= 1--    -198.343                217.138                 31.171
 CID1   Fr= 1--      -0.111                  0.215                  0.225
 Raman2 Fr= 1--      18.763                 67.497                 57.094
 ROA2   Fr= 1--     -47.325                -14.357                -30.747
 CID2   Fr= 1--      -2.522                 -0.213                 -0.539
 Raman3 Fr= 1--      37.526                134.994                114.188
 ROA3   Fr= 1--    -198.343                217.138                 31.171
 CID3   Fr= 1--      -5.286                  1.609                  0.273
 RC180  Fr= 1--      -0.958                 -0.732                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.05  -0.01   0.26    -0.00  -0.00   0.00    -0.16  -0.01   0.68
    20   1    -0.13   0.31  -0.13    -0.00   0.00  -0.00     0.24  -0.58   0.23
    21   1    -0.04  -0.01   0.17    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.30  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.01  -0.00
    23   1    -0.11  -0.03   0.50    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.18  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.09  -0.01   0.32    -0.00  -0.00   0.00     0.03   0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.04
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.66  -0.03  -0.13     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.20   0.53  -0.10    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.08  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4312              3077.9775              3084.3799
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0211                 6.1374                 6.1623
 IR Inten    --      6.7513                10.5037                55.5737
 RamAct Fr= 1--     68.9297                25.6458               121.9890
  Dep-P Fr= 1--      0.2066                 0.7452                 0.4472
  Dep-U Fr= 1--      0.3424                 0.8540                 0.6180
 Alpha2 Fr= 1--      0.9199                 0.0021                 0.7563
 Beta2  Fr= 1--      3.9337                 3.6503                12.5649
 AlphaG Fr= 1--     -0.0326                -0.0199                -1.6804
 Gamma2 Fr= 1--     -1.0414               -10.9433                 6.5242
 Delta2 Fr= 1--     -3.6157                 4.0721               -15.1043
 Raman1 Fr= 1--     275.719                102.583                487.956
 ROA1   Fr= 1--    -215.682               -920.248                142.989
 CID1   Fr= 1--      -0.782                 -8.971                  0.293
 Raman2 Fr= 1--      47.205                 43.803                150.779
 ROA2   Fr= 1--       3.932               -295.216                277.417
 CID2   Fr= 1--       0.083                 -6.740                  1.840
 Raman3 Fr= 1--      94.410                 87.607                301.559
 ROA3   Fr= 1--    -215.682               -920.248                142.989
 CID3   Fr= 1--      -2.285                -10.504                  0.474
 RC180  Fr= 1--      -0.315                  0.708                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.02
     9   6     0.00   0.00   0.00    -0.00   0.03   0.05     0.00   0.03   0.06
    10   6    -0.00   0.00   0.00    -0.01   0.01  -0.07     0.00  -0.03   0.05
    11   6     0.01   0.02  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.02  -0.00  -0.11
    20   1     0.00   0.00  -0.00     0.01  -0.03   0.01    -0.03   0.09  -0.03
    21   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.05   0.01  -0.19
    22   1     0.00  -0.00   0.00     0.17  -0.02  -0.00     0.15  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.09   0.03  -0.37     0.10   0.04  -0.43
    24   1    -0.00  -0.00  -0.00    -0.24  -0.36  -0.23    -0.26  -0.39  -0.25
    25   1     0.00   0.00  -0.00    -0.16  -0.01   0.53     0.12   0.00  -0.41
    26   1     0.00  -0.00   0.00     0.10  -0.33   0.13    -0.13   0.43  -0.18
    27   1    -0.00  -0.00  -0.00     0.18   0.27   0.16    -0.04  -0.06  -0.02
    28   1    -0.18  -0.22   0.94     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.04  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.03   0.04  -0.15    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.8929              3103.8650              3110.9439
 Red. masses --      1.1013                 1.1002                 1.1023
 Frc consts  --      6.1952                 6.2450                 6.2854
 IR Inten    --     42.8225                32.7264                27.0852
 RamAct Fr= 1--    140.2009                56.5666               131.2673
  Dep-P Fr= 1--      0.6528                 0.7026                 0.6642
  Dep-U Fr= 1--      0.7900                 0.8253                 0.7982
 Alpha2 Fr= 1--      0.2442                 0.0466                 0.2005
 Beta2  Fr= 1--     18.4587                 7.7811                17.4637
 AlphaG Fr= 1--     -0.3565                -0.1549                 0.1066
 Gamma2 Fr= 1--      1.7586               -11.0079                 0.4469
 Delta2 Fr= 1--      8.3658                -0.3846                -6.0566
 Raman1 Fr= 1--     560.804                226.266                525.069
 ROA1   Fr= 1--     436.530              -1069.062               -150.910
 CID1   Fr= 1--       0.778                 -4.725                 -0.287
 Raman2 Fr= 1--     221.505                 93.374                209.564
 ROA2   Fr= 1--     -24.720               -261.112                 59.177
 CID2   Fr= 1--      -0.112                 -2.796                  0.282
 Raman3 Fr= 1--     443.010                186.747                419.128
 ROA3   Fr= 1--     436.530              -1069.062               -150.910
 CID3   Fr= 1--       0.985                 -5.725                 -0.360
 RC180  Fr= 1--       0.580                  0.651                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.09  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00  -0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.13  -0.09    -0.01   0.00   0.00
    23   1    -0.03  -0.01   0.13     0.02   0.01  -0.17    -0.00   0.00   0.00
    24   1     0.08   0.11   0.07     0.20   0.32   0.22    -0.00  -0.00  -0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.16   0.49  -0.23    -0.01   0.02  -0.01     0.00  -0.00   0.00
    27   1     0.38   0.56   0.38     0.02   0.02   0.02    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.01  -0.13
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8176              3157.0589              3164.7686
 Red. masses --      1.1014                 1.0866                 1.0875
 Frc consts  --      6.3566                 6.3812                 6.4173
 IR Inten    --     12.7379                11.7241                10.9165
 RamAct Fr= 1--     30.7180                60.5086                55.7412
  Dep-P Fr= 1--      0.6647                 0.6981                 0.6055
  Dep-U Fr= 1--      0.7986                 0.8222                 0.7543
 Alpha2 Fr= 1--      0.0466                 0.0548                 0.1486
 Beta2  Fr= 1--      4.0885                 8.2921                 7.0077
 AlphaG Fr= 1--      0.0794                 0.0790                -0.1100
 Gamma2 Fr= 1--     -1.1595                -0.5350                -1.9516
 Delta2 Fr= 1--      2.8941                -0.5165                 1.6582
 Raman1 Fr= 1--     122.872                242.034                222.965
 ROA1   Fr= 1--     -18.699                -67.892               -134.294
 CID1   Fr= 1--      -0.152                 -0.281                 -0.602
 Raman2 Fr= 1--      49.063                 99.505                 84.093
 ROA2   Fr= 1--     -50.980                 -8.709                -60.104
 CID2   Fr= 1--      -1.039                 -0.088                 -0.715
 Raman3 Fr= 1--      98.125                199.010                168.185
 ROA3   Fr= 1--     -18.699                -67.892               -134.294
 CID3   Fr= 1--      -0.191                 -0.341                 -0.798
 RC180  Fr= 1--       0.597                  0.644                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.03
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.35  -0.24   0.78
    16   1    -0.02   0.01  -0.03     0.02  -0.01   0.02    -0.26   0.15  -0.34
    17   1     0.01   0.01  -0.02     0.23   0.16  -0.52    -0.01  -0.01   0.03
    18   1     0.00  -0.00   0.00     0.46  -0.26   0.60     0.04  -0.02   0.05
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.03  -0.03   0.15     0.01   0.00  -0.02    -0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    32   1     0.16  -0.42   0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82     0.00   0.00  -0.01     0.00   0.01  -0.02
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9148              3184.4944              3723.4207
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4951                 6.5331                 8.6906
 IR Inten    --     16.5349                 3.8802                62.9100
 RamAct Fr= 1--    126.5495               121.5983               165.5760
  Dep-P Fr= 1--      0.1607                 0.1414                 0.2561
  Dep-U Fr= 1--      0.2770                 0.2478                 0.4077
 Alpha2 Fr= 1--      1.9035                 1.9211                 1.9292
 Beta2  Fr= 1--      5.8414                 5.0213                11.2516
 AlphaG Fr= 1--      0.0832                -0.3446                -0.4078
 Gamma2 Fr= 1--      1.4940                 0.3171                -7.4504
 Delta2 Fr= 1--      0.9134                -1.2121                -0.1362
 Raman1 Fr= 1--     506.198                486.393                662.304
 ROA1   Fr= 1--     172.652                 -8.347               -719.595
 CID1   Fr= 1--       0.341                 -0.017                 -1.087
 Raman2 Fr= 1--      70.097                 60.256                135.019
 ROA2   Fr= 1--      28.549                 17.307               -177.720
 CID2   Fr= 1--       0.407                  0.287                 -1.316
 Raman3 Fr= 1--     140.195                120.512                270.039
 ROA3   Fr= 1--     172.652                 -8.347               -719.595
 CID3   Fr= 1--       1.232                 -0.069                 -2.665
 RC180  Fr= 1--      -0.446                 -0.504                 -0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.00  -0.01    -0.05   0.03  -0.06     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.03   0.02  -0.04     0.00  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1     0.00   0.00  -0.01    -0.18  -0.13   0.40    -0.00  -0.00   0.00
    16   1     0.07  -0.04   0.09     0.51  -0.29   0.65     0.00   0.00  -0.00
    17   1    -0.32  -0.22   0.70     0.03   0.02  -0.07     0.00   0.00  -0.00
    18   1     0.34  -0.19   0.43    -0.04   0.02  -0.06    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.93  -0.23
    31   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.03    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1336.314586890.985537245.92905
           X            0.99985   0.01732   0.00018
           Y           -0.01732   0.99979  -0.01114
           Z           -0.00038   0.01113   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06482     0.01257     0.01195
 Rotational constants (GHZ):           1.35054     0.26190     0.24907
 Zero-point vibrational energy     746012.6 (Joules/Mol)
                                  178.30130 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.85    52.57    65.71    77.72    97.13
          (Kelvin)            155.90   230.59   284.90   321.33   329.89
                              359.75   367.12   429.12   462.77   501.58
                              556.61   590.95   603.62   611.34   650.61
                              793.31   814.56   891.06   925.04   957.77
                             1036.70  1085.12  1160.12  1184.05  1205.99
                             1227.86  1235.87  1256.84  1290.77  1347.14
                             1373.67  1382.09  1398.82  1408.16  1460.05
                             1505.17  1559.54  1578.54  1593.11  1638.17
                             1651.98  1671.17  1717.80  1743.55  1758.01
                             1778.77  1796.66  1842.29  1884.14  1897.49
                             1941.54  1961.71  1974.43  1977.94  2003.54
                             2019.50  2037.44  2047.82  2100.80  2137.50
                             2144.24  2146.87  2154.95  2156.43  2164.63
                             2174.77  2232.46  2328.17  2385.67  2598.32
                             4320.79  4343.20  4346.05  4355.16  4384.34
                             4397.67  4417.67  4428.52  4437.73  4445.67
                             4465.77  4475.95  4503.11  4542.30  4553.40
                             4567.99  4581.78  5357.17
 
 Zero-point correction=                           0.284141 (Hartree/Particle)
 Thermal correction to Energy=                    0.299830
 Thermal correction to Enthalpy=                  0.300775
 Thermal correction to Gibbs Free Energy=         0.239420
 Sum of electronic and zero-point Energies=           -656.740223
 Sum of electronic and thermal Energies=              -656.724534
 Sum of electronic and thermal Enthalpies=            -656.723590
 Sum of electronic and thermal Free Energies=         -656.784944
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.146             58.737            129.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.567
 Vibrational            186.369             52.776             54.690
 Vibration     1          0.593              1.985              6.198
 Vibration     2          0.594              1.982              5.439
 Vibration     3          0.595              1.979              4.997
 Vibration     4          0.596              1.976              4.665
 Vibration     5          0.598              1.970              4.225
 Vibration     6          0.606              1.943              3.298
 Vibration     7          0.622              1.891              2.547
 Vibration     8          0.637              1.843              2.151
 Vibration     9          0.649              1.806              1.932
 Vibration    10          0.652              1.796              1.885
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.666              1.754              1.695
 Vibration    13          0.691              1.677              1.427
 Vibration    14          0.707              1.632              1.302
 Vibration    15          0.726              1.578              1.172
 Vibration    16          0.755              1.498              1.012
 Vibration    17          0.775              1.447              0.924
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.787              1.416              0.875
 Vibration    20          0.811              1.356              0.789
 Vibration    21          0.907              1.137              0.541
 Vibration    22          0.922              1.104              0.512
 Vibration    23          0.979              0.991              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.749076-110       -110.125474       -253.573275
 Total V=0       0.371788D+21         20.570295         47.364854
 Vib (Bot)       0.220227-124       -124.657130       -287.033648
 Vib (Bot)    1  0.831238D+01          0.919725          2.117746
 Vib (Bot)    2  0.566450D+01          0.753162          1.734219
 Vib (Bot)    3  0.452854D+01          0.655958          1.510399
 Vib (Bot)    4  0.382557D+01          0.582696          1.341707
 Vib (Bot)    5  0.305595D+01          0.485146          1.117091
 Vib (Bot)    6  0.189080D+01          0.276646          0.637000
 Vib (Bot)    7  0.126132D+01          0.100826          0.232160
 Vib (Bot)    8  0.100772D+01          0.003341          0.007694
 Vib (Bot)    9  0.884431D+00         -0.053336         -0.122811
 Vib (Bot)   10  0.859278D+00         -0.065866         -0.151663
 Vib (Bot)   11  0.780544D+00         -0.107603         -0.247765
 Vib (Bot)   12  0.763002D+00         -0.117474         -0.270494
 Vib (Bot)   13  0.638261D+00         -0.195002         -0.449008
 Vib (Bot)   14  0.583879D+00         -0.233677         -0.538062
 Vib (Bot)   15  0.529704D+00         -0.275967         -0.635437
 Vib (Bot)   16  0.465106D+00         -0.332448         -0.765490
 Vib (Bot)   17  0.430513D+00         -0.366014         -0.842779
 Vib (Bot)   18  0.418679D+00         -0.378119         -0.870652
 Vib (Bot)   19  0.411692D+00         -0.385428         -0.887480
 Vib (Bot)   20  0.378557D+00         -0.421869         -0.971389
 Vib (Bot)   21  0.284239D+00         -0.546316         -1.257940
 Vib (Bot)   22  0.272882D+00         -0.564024         -1.298714
 Vib (Bot)   23  0.236300D+00         -0.626536         -1.442653
 Vib (V=0)       0.109305D+07          6.038639         13.904481
 Vib (V=0)    1  0.882740D+01          0.945833          2.177861
 Vib (V=0)    2  0.618653D+01          0.791447          1.822374
 Vib (V=0)    3  0.505606D+01          0.703812          1.620587
 Vib (V=0)    4  0.435810D+01          0.639298          1.472037
 Vib (V=0)    5  0.359659D+01          0.555890          1.279985
 Vib (V=0)    6  0.245579D+01          0.390192          0.898450
 Vib (V=0)    7  0.185681D+01          0.268767          0.618859
 Vib (V=0)    8  0.162495D+01          0.210839          0.485475
 Vib (V=0)    9  0.151598D+01          0.180694          0.416063
 Vib (V=0)   10  0.149416D+01          0.174398          0.401566
 Vib (V=0)   11  0.142696D+01          0.154411          0.355544
 Vib (V=0)   12  0.141223D+01          0.149907          0.345174
 Vib (V=0)   13  0.131079D+01          0.117532          0.270629
 Vib (V=0)   14  0.126871D+01          0.103362          0.238000
 Vib (V=0)   15  0.122841D+01          0.089345          0.205723
 Vib (V=0)   16  0.118288D+01          0.072940          0.167951
 Vib (V=0)   17  0.115980D+01          0.064385          0.148251
 Vib (V=0)   18  0.115214D+01          0.061507          0.141625
 Vib (V=0)   19  0.114768D+01          0.059821          0.137743
 Vib (V=0)   20  0.112714D+01          0.051978          0.119684
 Vib (V=0)   21  0.107515D+01          0.031467          0.072456
 Vib (V=0)   22  0.106962D+01          0.029229          0.067302
 Vib (V=0)   23  0.105303D+01          0.022439          0.051668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.292407D+07          6.465988         14.888487
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222111     
     2        87653109877542210                           051510999986210977641184321964309841776539755320526416552218429552296065432
     3        45570140480777193                           688224982060364352399009622428977465921567493836416396125017928509380884675
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X               X  XX                     
     X                X                                   X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004035    0.000001323    0.000000104
      2        6           0.000003910    0.000002414   -0.000004065
      3        6           0.000000010    0.000000013   -0.000000316
      4        6          -0.000010760    0.000000438    0.000003151
      5        6           0.000006994   -0.000006001   -0.000000139
      6        6          -0.000005750    0.000000426    0.000002929
      7        6          -0.000004046    0.000011316    0.000007688
      8        6          -0.000001686    0.000002896   -0.000003646
      9        6          -0.000000301   -0.000006542    0.000000877
     10        6          -0.000004305   -0.000003255    0.000000078
     11        6           0.000017363    0.000008199    0.000001644
     12        6          -0.000003287    0.000005996    0.000006641
     13        8          -0.000001001   -0.000002553   -0.000004183
     14        8           0.000001231   -0.000006175   -0.000002322
     15        1          -0.000000147   -0.000000439    0.000000616
     16        1          -0.000000584    0.000000214    0.000000726
     17        1          -0.000000546    0.000001543   -0.000000256
     18        1           0.000000796    0.000000377   -0.000000903
     19        1           0.000001642   -0.000002725   -0.000003513
     20        1           0.000003838   -0.000001836   -0.000001394
     21        1          -0.000001019   -0.000002823    0.000003310
     22        1          -0.000000616    0.000000078   -0.000001528
     23        1          -0.000000904    0.000002569   -0.000001920
     24        1           0.000000360   -0.000001108   -0.000000855
     25        1           0.000002157   -0.000000520   -0.000001388
     26        1           0.000000217    0.000000011   -0.000000797
     27        1          -0.000001587    0.000000464   -0.000002081
     28        1          -0.000003703    0.000001020    0.000002065
     29        6          -0.000001136   -0.000004813   -0.000004708
     30        1          -0.000000067   -0.000001558   -0.000000163
     31        1          -0.000000810    0.000000068    0.000000699
     32        1          -0.000000449    0.000000464    0.000002133
     33        1           0.000000151    0.000000517    0.000001516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017363 RMS     0.000003648
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228721D+03 -0.203772D+01  0.201196D+01
      2  -0.203772D+01  0.141927D+03 -0.745033D+01
      3   0.201196D+01 -0.745033D+01  0.152108D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.830586D+01 -0.742406D+01  0.236273D+02
      2  -0.489436D+00 -0.785642D+01  0.360010D+02
      3  -0.109081D+03 -0.403713D+02  0.134691D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.259295D+03  0.393499D+02 -0.237437D+02
      2  -0.140302D+03 -0.211282D+02  0.431198D+02
      3  -0.118993D+03 -0.182217D+02 -0.193762D+02
      4  -0.407160D+02  0.723880D+02 -0.172627D+02
      5  -0.256742D+02 -0.232215D+02  0.752148D+02
      6  -0.121349D+01  0.243508D+02 -0.362986D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.142383D+02 -0.169969D-01  0.778640D+00  0.656636D+01  0.225520D+01
      2  -0.169969D-01  0.143744D+01  0.219839D-01  0.225520D+01  0.200913D+01
      3   0.778640D+00  0.219839D-01  0.159361D+01 -0.166631D+00 -0.278936D+01
                 6             7             8             9            10 
      1  -0.166631D+00 -0.115797D+02  0.340622D+00 -0.593963D+00  0.346752D+02
      2  -0.278936D+01  0.340622D+00 -0.143608D+01 -0.122502D+01  0.149692D+01
      3  -0.226319D+01 -0.593963D+00 -0.122502D+01 -0.187122D+01 -0.108688D+01
                11            12            13            14            15 
      1   0.149692D+01 -0.108688D+01 -0.527176D+00  0.455377D+01  0.119653D+01
      2   0.206090D+01 -0.771387D+00  0.455377D+01 -0.823554D+00 -0.155363D+00
      3  -0.771387D+00  0.300776D+01  0.119653D+01 -0.155363D+00 -0.864550D+00
                16            17            18            19            20 
      1  -0.458807D+01  0.151833D+01  0.146198D+01  0.108389D+02 -0.131465D+00
      2   0.151833D+01  0.161939D+00 -0.701601D+00 -0.131465D+00 -0.143331D+01
      3   0.146198D+01 -0.701601D+00 -0.550063D+00 -0.735365D+00 -0.360341D+00
                21            22            23            24            25 
      1  -0.735365D+00  0.518698D+01 -0.141761D+01 -0.108096D+01 -0.155092D+02
      2  -0.360341D+00 -0.141761D+01  0.260221D+01 -0.228149D+01 -0.525764D-01
      3  -0.342928D+01 -0.108096D+01 -0.228149D+01 -0.120941D+01  0.713464D+00
                26            27            28            29            30 
      1  -0.525764D-01  0.713464D+00 -0.327640D+02 -0.355073D+00  0.109025D+01
      2  -0.851978D+00 -0.846562D+00 -0.355073D+00 -0.182275D+01  0.256178D+00
      3  -0.846562D+00 -0.161499D+01  0.109025D+01  0.256178D+00 -0.275796D+01
                31            32            33            34            35 
      1   0.192436D+01 -0.499104D+01 -0.131451D+01  0.274469D+01 -0.120425D+01
      2  -0.499104D+01  0.629039D+00  0.368221D+00 -0.120425D+01 -0.236436D+00
      3  -0.131451D+01  0.368221D+00  0.437416D-01 -0.978095D+00 -0.757798D+00
                36            37            38            39            40 
      1  -0.978095D+00  0.158434D+02 -0.541145D+00 -0.944033D+00 -0.386070D+01
      2  -0.757798D+00 -0.541145D+00 -0.243209D+01  0.131544D+01 -0.201702D+01
      3   0.985648D+00 -0.944033D+00  0.131544D+01 -0.232264D+01 -0.268898D+00
                41            42            43            44            45 
      1  -0.201702D+01 -0.268898D+00  0.131330D+02 -0.206280D+01  0.684290D+00
      2  -0.271774D+01  0.257199D+01 -0.206280D+01  0.160813D+01  0.134182D+01
      3   0.257199D+01  0.207742D+01  0.684290D+00  0.134182D+01  0.146956D+01
                46            47            48            49            50 
      1  -0.116797D+02  0.669988D+00  0.542141D+00 -0.343870D+01  0.974089D+00
      2   0.669988D+00  0.199077D+01 -0.751512D+00  0.974089D+00 -0.364352D+01
      3   0.542141D+00 -0.751512D+00  0.364500D+01  0.164092D+01  0.217117D+01
                51            52            53            54            55 
      1   0.164092D+01  0.150388D+02  0.139737D+01 -0.124232D+01 -0.188591D+02
      2   0.217117D+01  0.139737D+01  0.340998D-02  0.151908D+01 -0.213668D+01
      3   0.111350D+01 -0.124232D+01  0.151908D+01  0.827936D+00 -0.265638D+00
                56            57            58            59            60 
      1  -0.213668D+01 -0.265638D+00 -0.701497D+01 -0.776437D+01 -0.524156D+00
      2  -0.376076D+01 -0.144333D+00 -0.776437D+01  0.275335D+01 -0.171424D+01
      3  -0.144333D+00 -0.139002D+01 -0.524156D+00 -0.171424D+01 -0.119805D+00
                61            62            63            64            65 
      1  -0.704760D+01 -0.138347D+01 -0.316687D+01 -0.342692D+00  0.329331D+01
      2  -0.138347D+01 -0.334992D+01  0.628223D+00  0.329331D+01  0.421820D+01
      3  -0.316687D+01  0.628223D+00  0.560063D+01 -0.547582D-01  0.409471D+00
                66            67            68            69            70 
      1  -0.547582D-01  0.132116D+02  0.717030D+01  0.795181D+00  0.721636D+01
      2   0.409471D+00  0.717030D+01 -0.205362D+01  0.227601D+01  0.145138D+01
      3   0.261161D+01  0.795181D+00  0.227601D+01  0.646819D+00  0.408212D+01
                71            72            73            74            75 
      1   0.145138D+01  0.408212D+01  0.614260D+01 -0.287411D+01 -0.119594D+01
      2   0.342401D+01  0.695343D+00 -0.287411D+01 -0.372537D+01 -0.754905D+00
      3   0.695343D+00 -0.778013D+01 -0.119594D+01 -0.754905D+00 -0.193757D+01
                76            77            78            79            80 
      1  -0.396073D+01 -0.423183D+01 -0.951811D+00 -0.263859D+01 -0.995514D+00
      2  -0.423183D+01 -0.840189D-01 -0.298576D+01 -0.995514D+00 -0.427003D+01
      3  -0.951811D+00 -0.298576D+01 -0.109743D+01 -0.277559D+01 -0.215239D+01
                81            82            83            84            85 
      1  -0.277559D+01  0.592701D+01 -0.190640D+01 -0.641806D+00 -0.455843D+01
      2  -0.215239D+01 -0.190640D+01 -0.359242D+01 -0.589585D+00 -0.613395D+01
      3   0.556528D+01 -0.641806D+00 -0.589585D+00 -0.285374D+01 -0.929521D+00
                86            87            88            89            90 
      1  -0.613395D+01 -0.929521D+00 -0.250686D+01 -0.100801D+01 -0.484935D+01
      2   0.243009D+01 -0.389188D+01 -0.100801D+01 -0.403546D+01 -0.339147D+00
      3  -0.389188D+01 -0.527637D+00 -0.484935D+01 -0.339147D+00  0.473419D+01
                91            92            93            94            95 
      1   0.685977D+01  0.236337D+01  0.318577D+00 -0.142578D+01  0.700174D+01
      2   0.236337D+01  0.260618D+01  0.126638D+01  0.700174D+01 -0.430371D+01
      3   0.318577D+00  0.126638D+01  0.144958D+01  0.208248D+01 -0.105130D+00
                96            97            98            99           100 
      1   0.208248D+01  0.416290D+01  0.211328D+01  0.198345D+01  0.309470D+01
      2  -0.105130D+00  0.211328D+01  0.231425D+01  0.212117D+01 -0.199463D+01
      3   0.153802D+01  0.198345D+01  0.212117D+01 -0.434839D+01  0.177400D+01
               101           102           103           104           105 
      1  -0.199463D+01  0.177400D+01 -0.220510D+01 -0.128083D+01 -0.139850D+01
      2   0.514275D-01 -0.100789D+01 -0.128083D+01  0.493938D+01  0.118689D+00
      3  -0.100789D+01  0.369903D+00 -0.139850D+01  0.118689D+00 -0.170579D+01
               106           107           108           109           110 
      1   0.390486D+01 -0.327569D+01  0.150079D+01 -0.588360D+01  0.231615D+01
      2  -0.327569D+01  0.231147D+01 -0.284738D+01  0.231615D+01 -0.144437D+01
      3   0.150079D+01 -0.284738D+01  0.278286D+01 -0.362176D+01  0.765981D+00
               111           112           113           114           115 
      1  -0.362176D+01  0.393600D+01 -0.252022D+01  0.129827D+01 -0.100165D+02
      2   0.765981D+00 -0.252022D+01  0.224929D+01 -0.221755D+01  0.370889D+01
      3  -0.181778D+01  0.129827D+01 -0.221755D+01  0.202095D+01 -0.338600D+01
               116           117           118           119           120 
      1   0.370889D+01 -0.338600D+01  0.985819D+00 -0.732095D-02  0.125593D+01
      2  -0.463939D+01  0.225459D+01 -0.732095D-02  0.239234D+01  0.492286D+00
      3   0.225459D+01 -0.740976D+01  0.125593D+01  0.492286D+00  0.241360D+00
               121           122           123           124           125 
      1   0.713146D+00  0.245953D+01  0.217511D+00  0.445971D+01 -0.143349D+01
      2   0.245953D+01 -0.715561D+01  0.559252D+00 -0.143349D+01  0.265298D+01
      3   0.217511D+00  0.559252D+00  0.208448D+00 -0.118991D+01  0.276937D+01
               126           127           128           129           130 
      1  -0.118991D+01  0.195048D+01  0.627186D+00 -0.203471D+01  0.202832D+00
      2   0.276937D+01  0.627186D+00  0.246500D+00 -0.438908D+00  0.150915D+00
      3   0.468822D+01 -0.203471D+01 -0.438908D+00  0.214660D+01 -0.695376D+00
               131           132           133           134           135 
      1   0.150915D+00 -0.695376D+00 -0.231787D+01 -0.897748D+00  0.275638D+01
      2   0.393163D+00 -0.638542D+00 -0.897748D+00 -0.113107D+01  0.174373D+01
      3  -0.638542D+00  0.228386D+01  0.275638D+01  0.174373D+01 -0.726025D+01
               136           137           138           139           140 
      1  -0.361807D+01  0.101794D+01 -0.191824D+01  0.155344D+01 -0.588891D+00
      2   0.101794D+01 -0.664624D+00  0.629888D+00 -0.588891D+00  0.572189D+00
      3  -0.191824D+01  0.629888D+00 -0.179095D+01  0.114693D+01 -0.624068D+00
               141           142           143           144           145 
      1   0.114693D+01 -0.232835D+01  0.908267D+00 -0.257540D+01 -0.206159D+01
      2  -0.624068D+00  0.908267D+00 -0.116444D+01  0.143927D+01 -0.694642D+00
      3   0.171820D+01 -0.257540D+01  0.143927D+01 -0.453887D+01  0.214343D+01
               146           147           148           149           150 
      1  -0.694642D+00  0.214343D+01 -0.485528D+00 -0.169334D+00  0.747907D+00
      2  -0.320384D+00  0.690706D+00 -0.169334D+00 -0.576944D+00  0.863493D+00
      3   0.690706D+00 -0.226915D+01  0.747907D+00  0.863493D+00 -0.242341D+01
               151           152           153           154           155 
      1   0.203436D+01  0.109784D+01 -0.281955D+01  0.371893D+01 -0.118756D+01
      2   0.109784D+01  0.156754D+01 -0.249854D+01 -0.118756D+01  0.882426D+00
      3  -0.281955D+01 -0.249854D+01  0.758936D+01  0.258913D+01 -0.118257D+01
               156           157           158           159           160 
      1   0.258913D+01 -0.212815D+01  0.843013D+00 -0.144900D+01  0.269872D+01
      2  -0.118257D+01  0.843013D+00 -0.861057D+00  0.941715D+00 -0.131736D+01
      3   0.235031D+01 -0.144900D+01  0.941715D+00 -0.207481D+01  0.304234D+01
               161           162           163           164           165 
      1  -0.131736D+01  0.304234D+01  0.115065D+01 -0.354099D-01 -0.149102D+01
      2   0.163017D+01 -0.221339D+01 -0.354099D-01  0.710721D+00  0.305255D+00
      3  -0.221339D+01  0.512904D+01 -0.149102D+01  0.305255D+00  0.136365D+01
               166           167           168           169           170 
      1   0.192557D+01  0.117948D+01 -0.922154D-01 -0.377251D+01  0.139732D+00
      2   0.117948D+01 -0.412790D+00 -0.702787D+00  0.139732D+00 -0.112275D+01
      3  -0.922154D-01 -0.702787D+00  0.180615D+00  0.249851D+01 -0.123617D+01
               171           172           173           174           175 
      1   0.249851D+01  0.467375D+01 -0.193190D+01  0.610419D+00 -0.455550D+01
      2  -0.123617D+01 -0.193190D+01  0.244223D+01 -0.437482D-01  0.372171D+01
      3  -0.632956D+01  0.610419D+00 -0.437482D-01  0.336223D+00 -0.189545D+00
               176           177           178           179           180 
      1   0.372171D+01 -0.189545D+00  0.554240D+01 -0.485319D+00  0.105320D+01
      2  -0.680399D+01  0.819110D+00 -0.485319D+00  0.215016D+01 -0.109420D+01
      3   0.819110D+00 -0.722839D+00  0.105320D+01 -0.109420D+01  0.273771D+00
               181           182           183           184           185 
      1  -0.755262D+00 -0.827599D+00  0.122063D+01 -0.179234D+01 -0.845839D+00
      2  -0.827599D+00 -0.847137D+00 -0.544106D-01 -0.845839D+00  0.198914D+00
      3   0.122063D+01 -0.544106D-01 -0.990167D+00  0.108127D+00  0.648303D+00
               186           187           188           189           190 
      1   0.108127D+00  0.221379D+01  0.147277D+00 -0.704960D+00 -0.890861D+01
      2   0.648303D+00  0.147277D+00  0.106768D+01 -0.555258D-01  0.689709D+00
      3  -0.527968D-01 -0.704960D+00 -0.555258D-01  0.744424D+01  0.487024D+00
               191           192           193           194           195 
      1   0.689709D+00  0.487024D+00  0.245063D+00 -0.128231D+01  0.618080D-01
      2  -0.237915D+01  0.814075D-01 -0.128231D+01  0.780846D+00  0.348678D+00
      3   0.814075D-01 -0.636201D+00  0.618080D-01  0.348678D+00  0.422190D+00
               196           197           198           199           200 
      1   0.556837D+00 -0.169815D+00 -0.299017D+00  0.355181D+00  0.672825D+00
      2  -0.169815D+00  0.606073D+00  0.621529D+00  0.672825D+00  0.915371D+00
      3  -0.299017D+00  0.621529D+00 -0.295429D+00 -0.101420D+01 -0.296380D+00
               201           202           203           204           205 
      1  -0.101420D+01  0.307042D+00  0.571813D+00 -0.686451D-01 -0.172333D+01
      2  -0.296380D+00  0.571813D+00  0.853274D+00 -0.694602D+00 -0.561889D+00
      3   0.137615D+01 -0.686451D-01 -0.694602D+00  0.535327D+00  0.151614D+01
               206           207           208           209           210 
      1  -0.561889D+00  0.151614D+01  0.253725D+01  0.280845D+01  0.958373D+00
      2  -0.199328D+01  0.200317D+01  0.280845D+01  0.355399D+01  0.775433D+00
      3   0.200317D+01 -0.677541D+01  0.958373D+00  0.775433D+00  0.970526D+00
               211           212           213           214           215 
      1   0.231689D+01  0.346886D+01  0.911695D+00  0.199397D+01  0.165022D+01
      2   0.346886D+01  0.691348D+01  0.197445D+01  0.165022D+01  0.359015D+01
      3   0.911695D+00  0.197445D+01  0.134525D+01  0.131100D+01  0.195024D+01
               216           217           218           219           220 
      1   0.131100D+01  0.200035D+01  0.126415D+00 -0.150679D+01  0.451239D+00
      2   0.195024D+01  0.126415D+00  0.598725D+00  0.623579D-01  0.122024D+01
      3   0.111879D+01 -0.150679D+01  0.623579D-01  0.165721D+01 -0.167388D-01
               221           222           223           224           225 
      1   0.122024D+01 -0.167388D-01 -0.451721D+01  0.118612D+00  0.349214D+01
      2  -0.176793D+00 -0.447239D+00  0.118612D+00 -0.924546D+00 -0.262092D-01
      3  -0.447239D+00  0.147655D+00  0.349214D+01 -0.262092D-01 -0.620908D+01
               226           227           228           229           230 
      1   0.189051D+01 -0.171257D+01  0.845798D+00 -0.411093D+01  0.355256D+01
      2  -0.171257D+01  0.178349D+01 -0.520950D+00  0.355256D+01 -0.599728D+01
      3   0.845798D+00 -0.520950D+00  0.832820D+00 -0.108030D+01  0.202329D+01
               231           232           233           234           235 
      1  -0.108030D+01  0.196997D+01 -0.972253D+00  0.169932D+01  0.498541D+01
      2   0.202329D+01 -0.972253D+00  0.224075D+01 -0.134298D+01  0.254614D+01
      3  -0.154177D+01  0.169932D+01 -0.134298D+01  0.109804D+01  0.180562D+01
               236           237           238           239           240 
      1   0.254614D+01  0.180562D+01  0.617813D+01  0.379765D+01  0.172263D+01
      2   0.198667D+01  0.949531D+00  0.379765D+01  0.348718D+01  0.186432D+01
      3   0.949531D+00  0.136842D+01  0.172263D+01  0.186432D+01  0.163751D+01
               241           242           243           244           245 
      1   0.402074D+01  0.160083D+01  0.262424D+01  0.446985D+00 -0.862632D+00
      2   0.160083D+01  0.204736D+01  0.139085D+01 -0.862632D+00 -0.494509D+00
      3   0.262424D+01  0.139085D+01  0.163838D+01  0.136554D+01  0.896067D-01
               246           247           248           249           250 
      1   0.136554D+01 -0.124167D+01 -0.106690D+01  0.191184D+00  0.263171D+01
      2   0.896067D-01 -0.106690D+01 -0.627615D+00  0.110847D+01  0.288995D+00
      3  -0.115581D+01  0.191184D+00  0.110847D+01 -0.128963D+01 -0.198822D+01
               251           252           253           254           255 
      1   0.288995D+00 -0.198822D+01  0.927384D+01  0.415616D-02 -0.174652D+01
      2   0.147141D+01 -0.118481D+01  0.415616D-02 -0.394625D+01 -0.914076D+00
      3  -0.118481D+01  0.611184D+01 -0.174652D+01 -0.914076D+00 -0.120536D+01
               256           257           258           259           260 
      1  -0.545356D+01 -0.427542D+01 -0.142266D+01 -0.708720D+01 -0.183333D+01
      2  -0.427542D+01  0.380417D+01 -0.142750D+01 -0.183333D+01 -0.287858D+01
      3  -0.142266D+01 -0.142750D+01 -0.198102D+01 -0.167231D+01 -0.147365D+01
               261           262           263           264           265 
      1  -0.167231D+01 -0.121678D+01  0.172002D+01  0.599661D+00  0.181770D+01
      2  -0.147365D+01  0.172002D+01 -0.239127D+01 -0.589256D+00 -0.347942D+01
      3   0.379537D+01  0.599661D+00 -0.589256D+00 -0.498422D+00 -0.738535D+00
               266           267           268           269           270 
      1  -0.347942D+01 -0.738535D+00 -0.336615D+00  0.638243D+00 -0.261357D+00
      2   0.106833D+02  0.218473D+01  0.638243D+00 -0.155154D+01  0.631638D+00
      3   0.218473D+01  0.183788D+01 -0.261357D+00  0.631638D+00  0.554337D+00
               271           272           273           274           275 
      1  -0.164613D+02 -0.251916D+01  0.111617D+00  0.464022D+00 -0.113482D+01
      2  -0.251916D+01 -0.151738D+01 -0.163885D+00 -0.113482D+01 -0.639947D+00
      3   0.111617D+00 -0.163885D+00 -0.102332D+01  0.103773D+00  0.194488D+00
               276           277           278           279           280 
      1   0.103773D+00  0.258113D+01  0.572322D+00 -0.122892D+01 -0.240645D-01
      2   0.194488D+00  0.572322D+00  0.673810D+00 -0.788264D-01 -0.845385D+00
      3   0.232201D+00 -0.122892D+01 -0.788264D-01  0.203343D-01  0.307048D+00
               281           282           283           284           285 
      1  -0.845385D+00  0.307048D+00 -0.144303D+01 -0.652861D-01 -0.283945D-01
      2   0.240490D+01  0.262180D+00 -0.652861D-01 -0.854106D+01  0.306905D-01
      3   0.262180D+00  0.427620D+00 -0.283945D-01  0.306905D-01 -0.858699D+00
               286           287           288           289           290 
      1   0.103988D+01  0.330579D+00  0.385896D-01 -0.537726D+00  0.228097D+00
      2   0.330579D+00  0.145106D+01 -0.753536D+00  0.228097D+00  0.489493D+00
      3   0.385896D-01 -0.753536D+00 -0.107805D+00 -0.546140D+00  0.210058D+00
               291           292           293           294           295 
      1  -0.546140D+00  0.120194D+01  0.344224D+00  0.191434D+00 -0.197412D+01
      2   0.210058D+00  0.344224D+00  0.120219D+00 -0.391547D+00 -0.369269D+00
      3   0.330018D+00  0.191434D+00 -0.391547D+00  0.743178D+00 -0.726111D+00
               296           297 
      1  -0.369269D+00 -0.726111D+00
      2  -0.138685D+01 -0.282304D+00
      3  -0.282304D+00 -0.633689D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.148710D+01 -0.261641D+01  0.129200D+01 -0.708106D+01 -0.243103D+01
      2   0.398439D+01 -0.212300D+01  0.929123D+01 -0.283904D+01  0.163559D+01
      3   0.200667D+02 -0.198185D+01  0.311635D+01  0.777587D+01 -0.165119D+01
                 6             7             8             9            10 
      1  -0.228102D+01 -0.161039D+01  0.215659D+01  0.102727D+00 -0.107720D+01
      2  -0.330436D+01 -0.437755D+01 -0.116580D+01  0.238089D+01  0.187543D+00
      3   0.218841D+01  0.160912D+02  0.424024D+00  0.317110D+01 -0.341206D+02
                11            12            13            14            15 
      1   0.242376D+00  0.186598D+01  0.235950D+01  0.452956D+01 -0.876343D+01
      2   0.674703D+00 -0.431830D+01  0.548089D+01  0.302411D+00  0.691157D+00
      3  -0.760240D+00  0.630955D+00  0.122888D+02 -0.152361D+01 -0.403307D+00
                16            17            18            19            20 
      1  -0.330111D+01 -0.207829D+01 -0.531863D+01 -0.365114D+00  0.190311D+01
      2  -0.276347D+02 -0.203796D+01 -0.269102D+01 -0.520076D+01 -0.205727D+01
      3  -0.126685D+01 -0.168149D+01 -0.199827D+01 -0.136767D+02 -0.133892D+01
                21            22            23            24            25 
      1  -0.134519D+01  0.571651D+01 -0.189843D+01 -0.341078D+01  0.529137D+01
      2   0.309987D+01 -0.432557D+01 -0.196697D+01  0.106405D+01 -0.453487D+00
      3   0.237257D+01  0.725599D+01  0.150847D+01 -0.261524D+01  0.200912D+02
                26            27            28            29            30 
      1   0.169137D+01 -0.163420D+01  0.195591D+01  0.451105D+00 -0.294794D+01
      2   0.740328D+00 -0.118437D+01  0.754293D+00  0.260737D+01 -0.407931D+01
      3  -0.171066D+01 -0.480321D+01  0.323477D+02  0.209815D-01 -0.298431D+01
                31            32            33            34            35 
      1  -0.169341D+01  0.456955D+01 -0.898433D+01 -0.553200D+01 -0.127073D+01
      2   0.551031D+01 -0.292335D+00  0.230311D+01 -0.294008D+02  0.364140D+01
      3   0.107240D+02  0.546353D+01  0.765415D+00 -0.688437D+01 -0.214559D+01
                36            37            38            39            40 
      1  -0.333719D+01 -0.272895D+01 -0.109042D+01 -0.146853D+01 -0.609323D+01
      2  -0.176290D+01  0.244740D+01 -0.278891D+01  0.856253D+01 -0.373705D+01
      3   0.232112D+01 -0.161859D+02 -0.186808D+00  0.312810D+01  0.132655D+02
                41            42            43            44            45 
      1   0.124106D+01  0.999952D+00 -0.203397D+01  0.397478D+01  0.260705D+01
      2   0.178710D+01 -0.179071D+01 -0.664049D+01 -0.113721D+01  0.247907D+01
      3  -0.312614D+00  0.235488D+01 -0.128938D+02  0.467098D+01  0.133230D+01
                46            47            48            49            50 
      1   0.132574D+01  0.178277D+01  0.300759D+01  0.888272D+01  0.114954D+01
      2  -0.403375D+01 -0.223598D+01  0.385077D+01 -0.437723D+01 -0.185798D+01
      3   0.146866D+02 -0.249653D+01 -0.806715D+00  0.145727D+02  0.142164D+01
                51            52            53            54            55 
      1  -0.268350D+01  0.272868D+01  0.376479D+01  0.721190D+00 -0.181710D+01
      2   0.889892D+00 -0.759516D+00  0.151147D+01 -0.197929D+01 -0.426867D+01
      3  -0.432353D+01 -0.122047D+02 -0.171332D+01 -0.984700D+00  0.193383D+02
                56            57            58            59            60 
      1  -0.107706D+00 -0.467984D+00 -0.365946D+00 -0.575730D+01 -0.803462D+00
      2   0.242516D+00 -0.549440D+00 -0.194558D+01 -0.110972D+02  0.122423D+01
      3   0.111741D+02  0.600773D+00  0.390132D+02 -0.941909D+00  0.620773D+01
                61            62            63            64            65 
      1   0.203740D+00  0.422917D+01  0.466850D+01  0.233806D+01  0.999784D+00
      2  -0.223944D+02  0.450752D+00  0.217842D+02  0.466093D+01  0.172961D+01
      3   0.115805D+02  0.121735D+02  0.179086D+01 -0.225789D+02 -0.213724D+02
                66            67            68            69            70 
      1  -0.173930D+01 -0.598284D+00 -0.176848D+01 -0.207273D+01  0.273172D+00
      2   0.132376D+02  0.543974D+01  0.114474D+02  0.347182D+00  0.139893D+02
      3  -0.194523D+01 -0.303706D+02  0.758569D+01 -0.950971D+01 -0.124024D+02
                71            72            73            74            75 
      1   0.440825D+01  0.460803D+01  0.218950D+01  0.241093D+01  0.496230D+01
      2   0.379416D+01 -0.359959D+02 -0.106605D+01 -0.441953D+01 -0.511823D+01
      3  -0.144470D+02 -0.303988D+01  0.283699D+02  0.390576D+01  0.833308D+00
                76            77            78            79            80 
      1   0.342843D+01  0.961646D+01  0.196262D+01  0.707958D+01  0.879153D+01
      2  -0.557036D+01 -0.111937D+02 -0.393747D+01 -0.121879D+02 -0.743366D+01
      3   0.108370D+02 -0.770933D+01  0.879460D+01  0.142077D+01  0.127402D+02
                81            82            83            84            85 
      1  -0.120447D+02 -0.326309D+00 -0.264643D+00  0.213250D+00  0.363164D-04
      2   0.191000D+02 -0.664770D+01 -0.261267D+01 -0.151599D+02 -0.431686D+01
      3   0.373069D+01  0.966967D+01  0.192960D+02  0.322638D+01  0.405397D+02
                86            87            88            89            90 
      1   0.120434D+01 -0.214465D+01  0.728912D+00  0.945918D+00 -0.115165D+01
      2  -0.219198D+02 -0.115492D+01 -0.320952D+02 -0.165258D+01  0.277795D+02
      3  -0.150586D+02  0.226762D+02  0.537559D+01  0.228610D+02  0.213430D+01
                91            92            93            94            95 
      1   0.438475D+00  0.785951D+00  0.247253D+01  0.250287D+01 -0.184720D+01
      2  -0.490073D+01 -0.461626D+01 -0.633480D+00 -0.440398D+01 -0.281689D+01
      3  -0.520297D+01  0.300554D+01  0.425513D+01  0.384616D+02 -0.200636D+02
                96            97            98            99           100 
      1  -0.314013D+01  0.316912D+01  0.565406D+01 -0.138259D+01 -0.392609D+00
      2  -0.729627D+01 -0.170917D+02 -0.720121D+01  0.160431D+02  0.204729D+01
      3  -0.157771D+01  0.309072D+01  0.551705D+01  0.576715D+01  0.151209D+02
               101           102           103           104           105 
      1  -0.599216D+01 -0.586361D+01  0.477182D+00 -0.309247D-01  0.278071D+01
      2   0.380429D+01  0.482278D+01  0.204430D+01  0.183413D+01  0.139915D+02
      3  -0.148621D+02 -0.606201D+01 -0.730862D+01  0.723201D+01  0.262823D+01
               106           107           108           109           110 
      1  -0.766325D+01 -0.406743D+00 -0.400814D+01  0.420669D+01  0.300761D+01
      2  -0.530768D+01  0.115788D+02 -0.171939D+02  0.931472D+01 -0.271683D+01
      3  -0.147697D+02  0.158540D+02 -0.779047D+01 -0.726529D+00 -0.474044D+01
               111           112           113           114           115 
      1   0.418336D+01 -0.644281D+00 -0.474258D-02 -0.704346D+01  0.444558D+01
      2   0.891866D+01 -0.634907D+00  0.745324D+01 -0.108913D+02  0.516775D+01
      3   0.968373D+00 -0.620928D+01  0.114846D+02 -0.787201D+01  0.161401D+02
               116           117           118           119           120 
      1   0.530328D+01  0.113672D+02 -0.394597D+01  0.273100D+01  0.206619D+00
      2  -0.718687D+01  0.306409D+02 -0.561069D+01 -0.121016D+01  0.220647D+00
      3  -0.208503D+02  0.673736D+01 -0.213657D+01  0.774605D+01  0.443233D+01
               121           122           123           124           125 
      1   0.725200D+00 -0.545269D+01 -0.275280D+01 -0.217741D+01  0.748844D+01
      2  -0.301709D+01 -0.388145D+01 -0.193403D+01 -0.844673D+00 -0.838684D+01
      3   0.821208D+01 -0.194078D+02  0.219387D+01 -0.326887D+01  0.840483D+01
               126           127           128           129           130 
      1  -0.686262D+01 -0.185354D+01 -0.194487D+01  0.100166D+01 -0.199239D+00
      2  -0.155636D+02  0.448750D+01  0.918508D+00 -0.990816D+00  0.414384D+00
      3   0.904358D+01 -0.140489D+00 -0.102919D+01  0.858902D+00  0.105337D+01
               131           132           133           134           135 
      1  -0.136402D+01 -0.186711D+00  0.280029D+01  0.527582D+01 -0.481008D+01
      2  -0.532544D-01  0.514912D+00 -0.479134D+01 -0.351881D+00 -0.174010D+01
      3  -0.509519D+00  0.453517D+00  0.915657D+00  0.219449D+01 -0.159387D+01
               136           137           138           139           140 
      1  -0.241546D+01  0.293097D+01 -0.753462D+00  0.107087D+01 -0.119501D+01
      2  -0.814370D+01  0.166723D+01 -0.968219D+00  0.184605D+01 -0.549606D+00
      3   0.322118D+00 -0.154299D+01  0.799236D+00  0.348062D+00  0.134258D+01
               141           142           143           144           145 
      1  -0.600752D+00 -0.192902D+01  0.401559D+01 -0.259749D+01  0.174382D+01
      2   0.638862D-01 -0.413826D+01  0.519304D+00  0.986322D+00  0.435002D+01
      3  -0.423020D+00  0.567391D+00 -0.258549D+01  0.167468D+01  0.263485D+01
               146           147           148           149           150 
      1  -0.896183D+00 -0.221303D+01  0.104710D+01  0.429006D-01 -0.362169D+01
      2   0.439963D+00 -0.898176D+00  0.490909D+00 -0.228681D+00  0.577471D+00
      3  -0.428489D-01 -0.201720D+01  0.168385D+01 -0.353510D+00 -0.496884D+00
               151           152           153           154           155 
      1  -0.169472D+01  0.233060D+01  0.542413D+01  0.247894D+01  0.126118D+01
      2  -0.441834D+01 -0.343171D+00 -0.123435D+01 -0.559225D+01  0.286067D+00
      3  -0.221950D+01  0.884628D+00  0.185164D+01 -0.507495D+01 -0.863488D+00
               156           157           158           159           160 
      1   0.217847D+01 -0.138992D+01  0.185134D+00 -0.375411D+01  0.237276D+01
      2  -0.252595D+00  0.128960D+01  0.133811D+00 -0.938178D+00 -0.298884D+01
      3  -0.225437D+01  0.449937D+01  0.567647D+00  0.841405D+00 -0.296442D+01
               161           162           163           164           165 
      1   0.147710D+01  0.403096D+01 -0.129392D+01 -0.647230D+00  0.109536D+01
      2  -0.989512D-01  0.198402D+01 -0.527739D+01  0.713353D+00  0.564229D+01
      3  -0.124103D+01 -0.197070D+01 -0.176664D+01 -0.356285D+01  0.554658D+00
               166           167           168           169           170 
      1   0.142267D+00 -0.312890D+00 -0.918093D+00  0.222008D+01  0.227334D+01
      2   0.535468D+00 -0.113857D+01  0.989267D+00  0.248028D+01 -0.407466D+01
      3  -0.337917D+01  0.299573D+00  0.173447D+01  0.308559D+01  0.406642D+01
               171           172           173           174           175 
      1  -0.642040D+01  0.949836D+00 -0.108264D+01  0.137652D+01 -0.164655D+01
      2  -0.208390D+02  0.506019D+01 -0.146881D+01  0.317442D+01 -0.288127D+01
      3   0.355270D+00  0.112744D+01 -0.770606D+01 -0.281710D+00 -0.459453D+01
               176           177           178           179           180 
      1   0.361930D+01 -0.346537D+01  0.153894D+01 -0.128982D+01  0.116322D+01
      2   0.582901D+01 -0.355471D+01  0.360081D+01 -0.418580D+01  0.712056D+00
      3   0.184177D+02 -0.191605D+01 -0.378743D+01 -0.700070D+01  0.194328D+01
               181           182           183           184           185 
      1  -0.263379D+01 -0.157019D+01  0.836729D+00 -0.107642D+01 -0.332238D+00
      2   0.788206D+01  0.826442D+00 -0.453816D+01  0.223387D+01  0.339864D+01
      3   0.283076D+01  0.263997D+01  0.327218D+00  0.537542D+01 -0.757007D+00
               186           187           188           189           190 
      1  -0.671618D+00  0.153967D+01  0.354881D+01 -0.410275D+01  0.446262D+00
      2  -0.799996D+00 -0.885965D+01 -0.110584D+01  0.307962D+02 -0.155211D+01
      3  -0.252320D+01  0.758135D-01 -0.370764D+01 -0.119264D+00 -0.273226D+02
               191           192           193           194           195 
      1   0.620411D+00  0.224486D+01  0.731448D-01 -0.848294D+00 -0.117507D+01
      2   0.427272D+00 -0.153453D+00  0.355332D+00  0.819177D+00  0.250740D+00
      3   0.657823D+01  0.794514D+00  0.649411D+01 -0.389315D+01 -0.120845D+01
               196           197           198           199           200 
      1   0.232929D+01  0.542226D+00  0.669986D+00  0.226457D+01 -0.494575D-01
      2  -0.344418D+01  0.127199D+01 -0.103777D+01 -0.332442D+01 -0.115113D+01
      3   0.112781D+01 -0.234223D+01 -0.294769D+01 -0.263526D+01 -0.325872D+01
               201           202           203           204           205 
      1  -0.298952D+01  0.240240D+00  0.114044D+01 -0.228584D+01 -0.308284D+01
      2   0.509368D+01 -0.191217D+00 -0.196726D+01  0.116695D+01  0.846603D+00
      3  -0.296475D+00 -0.379566D+00 -0.178784D+01  0.194659D+01 -0.208103D+01
               206           207           208           209           210 
      1  -0.278577D+00  0.152969D+02 -0.278839D+01 -0.235180D+01 -0.395562D+01
      2   0.638866D+01 -0.227784D+02  0.364721D+01  0.332586D+01  0.476581D+01
      3   0.714179D+01 -0.531156D+01 -0.507249D+01 -0.974708D+01 -0.868584D+00
               211           212           213           214           215 
      1  -0.361830D+01 -0.572418D+01 -0.597957D+01 -0.367191D+01 -0.359766D+01
      2   0.331385D+01  0.765412D+01  0.598885D+01  0.371792D+01  0.713945D+01
      3  -0.353569D+01 -0.191605D+02 -0.498810D+01 -0.119677D+01 -0.106919D+02
               216           217           218           219           220 
      1  -0.354392D+01  0.266152D+00 -0.438865D+00 -0.174498D-01  0.150624D+00
      2   0.430037D+01 -0.905878D+01  0.241402D+00  0.110824D+02 -0.134721D+00
      3  -0.473257D+01 -0.600668D+00 -0.437119D+01 -0.348993D+00 -0.503263D+01
               221           222           223           224           225 
      1   0.282162D-01 -0.872788D+00 -0.664507D+00  0.265962D+01  0.932456D+00
      2  -0.237890D+01  0.746575D+00  0.164579D+02 -0.682580D-01 -0.366443D+02
      3   0.100514D+01  0.203825D+01 -0.817708D+00  0.615784D+01 -0.209394D+00
               226           227           228           229           230 
      1  -0.716100D+00  0.727410D+00  0.490134D+00  0.843190D+00 -0.251451D+01
      2   0.424384D+01 -0.249636D+01  0.527604D+01 -0.417406D+01  0.108455D+02
      3   0.926566D+01 -0.112207D+02  0.299605D+01 -0.158395D+02  0.342499D+02
               231           232           233           234           235 
      1  -0.177165D+01 -0.274965D+00  0.184146D+01  0.231208D+00  0.289251D+00
      2  -0.969238D+01  0.711692D+01 -0.724495D+01  0.562504D+01  0.834224D+01
      3  -0.113040D+02  0.471819D+01 -0.130980D+02  0.705043D+01 -0.125637D+02
               236           237           238           239           240 
      1   0.863915D+00 -0.963001D+00  0.256918D+00  0.119480D+01 -0.164451D+01
      2   0.458173D+01  0.950362D+01  0.733121D+01  0.967507D+01  0.101043D+02
      3  -0.133687D+02 -0.523052D+01 -0.179485D+02 -0.204482D+02 -0.104187D+02
               241           242           243           244           245 
      1  -0.681925D+00  0.152917D+01 -0.743961D+00  0.370094D+00 -0.336786D+00
      2   0.119813D+02  0.735966D+01  0.875471D+01 -0.592963D+01  0.407648D-02
      3  -0.771463D+01 -0.124679D+02 -0.746899D+01 -0.293877D+01 -0.191033D+01
               246           247           248           249           250 
      1  -0.904572D+00 -0.254371D-01 -0.720097D-01 -0.112669D+01 -0.126181D+01
      2   0.402897D+01  0.914219D-01 -0.270429D+01  0.450437D+01  0.137102D+01
      3  -0.463150D+00 -0.969602D+00 -0.116446D+01  0.291979D+01 -0.913106D+00
               251           252           253           254           255 
      1   0.270954D+01  0.338880D+01 -0.231044D+01  0.100973D+01 -0.255896D+01
      2   0.403396D+01 -0.193768D+02  0.159705D+02  0.451142D+01  0.697201D+01
      3   0.382921D+01 -0.252182D+01 -0.171932D+02 -0.178871D+02 -0.571536D+00
               256           257           258           259           260 
      1  -0.166647D+01 -0.638459D+01 -0.386010D+01 -0.972110D+00  0.119472D+01
      2   0.587222D+01  0.527673D+01  0.674308D+01  0.533432D+01  0.558394D+01
      3  -0.873886D+01  0.219283D+02 -0.407042D+01  0.634765D+00 -0.766496D+01
               261           262           263           264           265 
      1   0.939268D+01  0.931338D+00 -0.145749D+01  0.861485D+00 -0.300313D+01
      2  -0.190654D+02 -0.869353D+00  0.656255D+00  0.139717D+01  0.565780D+00
      3  -0.482415D+01  0.356471D+01 -0.562474D+01 -0.203386D+01 -0.638463D+01
               266           267           268           269           270 
      1   0.931038D+01 -0.236759D+01  0.427896D+00 -0.942692D+00  0.109813D+01
      2  -0.463899D+01 -0.601041D+01  0.389122D+00 -0.197315D+01 -0.122573D+01
      3   0.336347D+02  0.703969D+01  0.192011D+01 -0.567271D+01  0.185939D+01
               271           272           273           274           275 
      1   0.122552D+01  0.568655D+00 -0.237954D+01  0.913810D+00  0.718814D+00
      2  -0.808826D+01 -0.279801D+00  0.809646D+01 -0.861348D+00 -0.138754D+01
      3   0.154899D+02 -0.593324D+01 -0.111005D+01 -0.388524D+01 -0.955406D+00
               276           277           278           279           280 
      1  -0.212739D+00 -0.217975D+01  0.529343D+00 -0.145490D+00  0.151070D+01
      2  -0.397014D+00  0.469952D+01  0.280223D-01 -0.115629D+00 -0.107120D+01
      3   0.832243D+00 -0.168489D+01  0.198383D+01  0.174216D+01 -0.530883D+01
               281           282           283           284           285 
      1  -0.829454D+00  0.174264D+01 -0.467257D+00  0.520957D+01 -0.422759D+01
      2  -0.112937D+01 -0.133994D+01 -0.843107D+00  0.346070D-01  0.289811D+01
      3   0.937972D+01 -0.930674D-01  0.562570D+01 -0.316026D+02  0.697105D+00
               286           287           288           289           290 
      1   0.688354D+00 -0.108914D+01  0.445508D+00 -0.175309D+01 -0.620589D+00
      2  -0.161084D+01  0.248889D+01  0.520097D+00  0.426161D+01 -0.782707D-01
      3  -0.121740D+01  0.468821D+01 -0.283632D+01  0.142946D+01  0.109757D+01
               291           292           293           294           295 
      1   0.536205D+00 -0.267912D+00 -0.209524D+01  0.102684D+01 -0.124576D+00
      2  -0.198426D+01  0.143806D+01  0.194689D+01 -0.335785D+01 -0.206984D+01
      3   0.119840D+01  0.906576D+00  0.141058D+00 -0.165312D+01  0.145217D+01
               296           297 
      1   0.358273D+01 -0.117704D+02
      2   0.136285D+00  0.255330D+02
      3  -0.457108D+01  0.647565D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.387787D+01 -0.745200D+01  0.209997D+02  0.200517D+02 -0.296470D+01
      2   0.796635D+01  0.326782D+01 -0.801154D+01 -0.558063D+01  0.419723D+01
      3  -0.408848D+01  0.418418D+01 -0.129882D+02 -0.144711D+02 -0.123253D+01
      4   0.412369D-01  0.299896D+01 -0.196715D+00  0.928294D+01  0.481492D+01
      5   0.184589D+02  0.104559D+01 -0.780233D+01 -0.497892D+01 -0.232816D+01
      6   0.123432D+00 -0.327419D+01 -0.435421D+00 -0.227365D+00  0.376176D+01
                 6             7             8             9            10 
      1  -0.168292D+02 -0.279871D+02 -0.982493D+01  0.354353D+01  0.569630D+02
      2   0.124397D+01  0.485668D+01  0.133200D+01  0.477481D+01 -0.229856D+02
      3   0.155853D+02  0.231305D+02  0.849293D+01 -0.831834D+01 -0.339773D+02
      4  -0.387359D+01  0.446169D+01 -0.279895D+01 -0.499589D+01 -0.136946D+02
      5  -0.360742D+01  0.823522D+01 -0.438701D+01  0.623007D+01 -0.556727D+01
      6   0.123354D+02 -0.687056D+01  0.634377D+01  0.150818D+02  0.170566D+01
                11            12            13            14            15 
      1   0.784244D+01 -0.435356D+00  0.974324D+01 -0.594852D+00  0.546257D+01
      2  -0.696653D+01  0.315982D+01 -0.105784D+02  0.632601D+01 -0.108296D+01
      3  -0.875916D+00 -0.272446D+01  0.835173D+00 -0.573116D+01 -0.437961D+01
      4   0.100801D+01 -0.401179D+01  0.182197D+02 -0.588252D+01 -0.933755D+00
      5  -0.463715D+01  0.705844D+01  0.101021D+02 -0.839142D+00 -0.198966D+01
      6   0.275090D+00 -0.686202D+01 -0.513761D+01  0.406353D+01  0.902317D+01
                16            17            18            19            20 
      1  -0.725896D+01  0.566206D+01 -0.161586D+02 -0.351070D+00  0.455530D+01
      2  -0.735293D+00  0.551441D+01  0.636693D+00 -0.233096D+01 -0.207503D+01
      3   0.799425D+01 -0.111765D+02  0.155219D+02  0.268203D+01 -0.248027D+01
      4   0.136281D+02  0.170298D+01 -0.182324D+01  0.248244D+01 -0.430669D+00
      5  -0.122439D+02 -0.177299D+01 -0.523905D+01 -0.157463D+02  0.291983D+01
      6  -0.475481D+01  0.547237D+00 -0.495196D+01  0.313453D+01  0.504739D+01
                21            22            23            24            25 
      1  -0.263700D+02 -0.115839D+02 -0.517890D+01 -0.589390D+01  0.282345D+02
      2   0.678943D+01 -0.122457D+01  0.619352D+01 -0.184121D+00 -0.202172D+01
      3   0.195806D+02  0.128084D+02 -0.101462D+01  0.607802D+01 -0.262128D+02
      4   0.289176D+01  0.290963D+01 -0.217945D+01  0.379063D+01  0.524470D+01
      5  -0.244283D+01  0.132015D+01  0.209079D+01  0.582279D+01  0.114564D+02
      6   0.625219D+01  0.208151D+01  0.237549D+01  0.780491D+01  0.109113D+02
                26            27            28            29            30 
      1  -0.834138D+01  0.720109D+01  0.234081D+02 -0.181942D+01  0.177753D+01
      2   0.106382D+01 -0.203901D+01 -0.503701D+01  0.614774D+01  0.973810D+00
      3   0.727756D+01 -0.516208D+01 -0.183711D+02 -0.432832D+01 -0.275134D+01
      4   0.494970D+01  0.732547D+01  0.255779D+02  0.350362D+01 -0.211810D+01
      5   0.534922D+01 -0.402162D+01  0.311390D+01 -0.151161D+01  0.748986D+01
      6   0.269349D+01  0.106084D+02  0.501468D+01 -0.121638D+01  0.500236D+01
                31            32            33            34            35 
      1   0.941884D+00 -0.147437D+01  0.711860D+01 -0.810207D+01  0.953256D+01
      2   0.589654D+01  0.506376D+01 -0.205363D+01  0.200466D+01  0.339178D+01
      3  -0.683842D+01 -0.358938D+01 -0.506497D+01  0.609741D+01 -0.129243D+02
      4   0.164108D+02 -0.257304D+00  0.181910D+01  0.112406D+02  0.582821D+01
      5   0.112694D+02  0.158169D+00  0.180389D+01 -0.157439D+02  0.275111D+01
      6  -0.124779D+01  0.391432D+01  0.630472D+01 -0.130531D+01  0.656792D+00
                36            37            38            39            40 
      1  -0.191486D+02  0.850323D+01 -0.124233D+02  0.235765D+02  0.541522D+01
      2   0.236596D+01  0.105370D+00  0.122024D+02 -0.124099D+02  0.396996D+01
      3   0.167827D+02 -0.860860D+01  0.220909D+00 -0.111667D+02 -0.938518D+01
      4   0.468429D+00 -0.911139D+01 -0.222183D+01  0.462418D+01  0.177580D+02
      5  -0.334629D+01  0.116673D+02  0.225349D+01 -0.964884D+01 -0.144023D+01
      6  -0.762971D+01 -0.896610D+00 -0.619767D+01  0.534325D+01  0.964649D-01
                41            42            43            44            45 
      1  -0.106154D+02 -0.682798D+01 -0.224320D+02 -0.430295D+01  0.830508D+01
      2   0.171325D+02 -0.109128D+02  0.217787D+01 -0.407149D+01 -0.819254D+00
      3  -0.651708D+01  0.177408D+02  0.202541D+02  0.837444D+01 -0.748582D+01
      4   0.717916D+01 -0.288375D+01 -0.284888D+01 -0.404410D+01 -0.684931D+01
      5  -0.147632D+01 -0.261573D+01  0.667360D+01 -0.635262D+01  0.875042D+01
      6  -0.660059D+01  0.611249D+01 -0.112711D+02  0.155179D+01  0.933152D+01
                46            47            48            49            50 
      1  -0.638144D+01  0.100215D+02 -0.259565D+02 -0.747674D+01 -0.169283D+02
      2   0.256147D+01 -0.988052D+01  0.847375D+01 -0.470089D+01  0.232637D+02
      3   0.381996D+01 -0.140974D+00  0.174828D+02  0.121776D+02 -0.633540D+01
      4   0.914494D+01  0.124354D+01  0.493613D+01  0.553696D+01 -0.634234D+01
      5  -0.125780D+02  0.567191D+01 -0.366648D+01  0.637186D+01  0.178559D+01
      6   0.474857D+01  0.585898D+01 -0.452993D+01 -0.798528D+00 -0.642015D+01
                51            52            53            54            55 
      1   0.350550D+01  0.390972D+02 -0.331241D+01  0.791888D+01 -0.460436D+02
      2  -0.107851D+02 -0.107077D+02 -0.125927D+01 -0.477699D+01  0.152805D+02
      3   0.727964D+01 -0.283895D+02  0.457167D+01 -0.314189D+01  0.307631D+02
      4   0.897931D+00 -0.347367D+01 -0.446501D+00  0.760881D+01  0.452529D+01
      5   0.619740D+01  0.255793D+01  0.682750D+01 -0.641606D+01 -0.165941D+01
      6   0.401458D+01  0.119677D+02 -0.254192D+01  0.782400D+01  0.188667D+01
                56            57            58            59            60 
      1  -0.835093D+01 -0.295931D+01 -0.469601D+02 -0.317481D+02 -0.458985D+01
      2   0.593588D+01 -0.182299D+01  0.322101D+02  0.403175D+01  0.497742D+01
      3   0.241505D+01  0.478230D+01  0.147500D+02  0.277164D+02 -0.387569D+00
      4  -0.268872D+02 -0.241152D+00 -0.552578D+02  0.285266D+02 -0.125400D+02
      5  -0.444274D+00 -0.110846D+02 -0.456161D+01 -0.128392D+02 -0.832286D-01
      6   0.621465D+00  0.136494D+01 -0.135130D+01  0.432267D+01 -0.110413D+00
                61            62            63            64            65 
      1  -0.346304D+02 -0.806701D+01 -0.731999D+01 -0.565927D+02  0.159512D+02
      2   0.570851D+01  0.686054D+01  0.124479D+02  0.361932D+02 -0.258208D+01
      3   0.289219D+02  0.120647D+01 -0.512795D+01  0.203994D+02 -0.133691D+02
      4  -0.605233D+01 -0.234446D+02  0.744120D+01  0.177631D+02  0.312953D+02
      5  -0.254769D+02  0.478733D+01  0.411102D+02 -0.158428D+01  0.348976D+01
      6   0.392244D+01 -0.201131D+01 -0.691339D+01  0.115848D+01 -0.279974D+01
                66            67            68            69            70 
      1  -0.201935D+01  0.615218D+02  0.547231D+02 -0.644574D+00  0.249691D+02
      2  -0.162385D+01 -0.267279D+02 -0.298940D+02  0.253953D+01 -0.908219D+01
      3   0.364319D+01 -0.347939D+02 -0.248291D+02 -0.189496D+01 -0.158870D+02
      4   0.308145D+01  0.513444D+02 -0.168893D+02  0.173091D+02  0.697553D+01
      5   0.187657D+02  0.786025D+01  0.194992D+02  0.308410D+01  0.390638D+02
      6   0.357801D+01  0.359926D+01  0.548726D+01 -0.116322D+01  0.334800D+01
                71            72            73            74            75 
      1   0.181641D+01  0.359180D+02  0.556363D+02 -0.899112D+01 -0.749785D+01
      2   0.415417D+01 -0.103579D+02 -0.385838D+02 -0.723113D+01 -0.479296D+00
      3  -0.597058D+01 -0.255602D+02 -0.170525D+02  0.162222D+02  0.797715D+01
      4   0.229974D+02  0.574396D+01 -0.648153D+01 -0.320333D+02 -0.880483D+01
      5   0.479810D+01 -0.611457D+02 -0.720671D+01 -0.663390D+01 -0.131097D+02
      6   0.565151D+01 -0.719180D+01 -0.759377D+01 -0.261576D+01 -0.977493D+01
                76            77            78            79            80 
      1  -0.106356D+02 -0.342992D+02  0.355866D+01 -0.141118D+02  0.245841D+01
      2  -0.785032D+01  0.136602D+02 -0.124832D+02 -0.127857D+01 -0.155923D+02
      3   0.184860D+02  0.206391D+02  0.892450D+01  0.153904D+02  0.131339D+02
      4  -0.383228D+02 -0.129191D+02 -0.218881D+02 -0.881966D+01 -0.325532D+02
      5  -0.679230D+01 -0.213456D+02 -0.796585D+01 -0.218435D+02 -0.163108D+02
      6  -0.576976D+01 -0.178932D+02 -0.422796D+01 -0.115243D+02 -0.972482D+01
                81            82            83            84            85 
      1  -0.859644D+01  0.645125D+02 -0.198338D+02 -0.614851D+01 -0.354567D+02
      2   0.828814D+01 -0.347302D+02  0.945560D+01  0.142269D+01  0.166504D+02
      3   0.308304D+00 -0.297824D+02  0.103782D+02  0.472582D+01  0.188063D+02
      4  -0.213036D+02 -0.231799D+02 -0.404779D+02 -0.665012D+01 -0.658150D+02
      5   0.421791D+02 -0.100381D+02 -0.716046D+01 -0.327061D+02 -0.115657D+02
      6   0.210638D+02 -0.182867D+01 -0.495731D+01 -0.207572D+01 -0.989077D+01
                86            87            88            89            90 
      1  -0.582749D+02 -0.689873D+01 -0.190693D+02 -0.672723D+01 -0.467628D+02
      2   0.286076D+02  0.242606D+01  0.537090D+01  0.227383D+01  0.262106D+02
      3   0.296673D+02  0.447267D+01  0.136984D+02  0.445341D+01  0.205522D+02
      4   0.250297D+02 -0.429536D+02 -0.110892D+02 -0.418996D+02 -0.534815D+01
      5  -0.462044D+02 -0.451927D+01 -0.567062D+02 -0.418903D+01  0.524078D+02
      6   0.244738D+00 -0.501655D+01 -0.388163D+01 -0.570295D+01  0.148346D+01
                91            92            93            94            95 
      1   0.818704D+01 -0.289683D+01 -0.974461D+00 -0.112996D+02 -0.196000D+02
      2  -0.945252D+01 -0.287399D+01 -0.125771D+01  0.672096D+01  0.618832D+01
      3   0.126549D+01  0.577082D+01  0.223217D+01  0.457863D+01  0.134117D+02
      4  -0.207851D+02 -0.211355D+02 -0.991587D+01 -0.501728D+02  0.206163D+02
      5  -0.739722D+01 -0.907893D+01 -0.102494D+02 -0.159851D+02 -0.149895D+01
      6  -0.664375D+01 -0.254624D+01 -0.497650D+01 -0.282116D+01 -0.684009D+01
                96            97            98            99           100 
      1  -0.724214D+01 -0.178828D+02 -0.100723D+02 -0.219120D+01 -0.520737D+01
      2   0.374797D+00 -0.815405D-02 -0.187089D+01  0.804412D+01  0.819237D+00
      3   0.686735D+01  0.178910D+02  0.119431D+02 -0.585292D+01  0.438814D+01
      4  -0.127303D+01 -0.231653D+02 -0.169742D+02 -0.178786D+02  0.146409D+02
      5  -0.143565D+02 -0.160437D+02 -0.169010D+02  0.316134D+02 -0.173290D+02
      6  -0.412486D+01 -0.921225D+01 -0.283963D+01  0.910466D+01  0.564587D+01
               101           102           103           104           105 
      1   0.635426D+01 -0.848345D+01  0.220714D+02  0.373576D+01  0.101756D+02
      2  -0.596727D+00  0.574886D+01 -0.177323D+02  0.626815D+01 -0.292325D+01
      3  -0.575753D+01  0.273458D+01 -0.433909D+01 -0.100039D+02 -0.725237D+01
      4  -0.824836D+00  0.844054D+01  0.314030D+01 -0.260685D+02 -0.364943D+01
      5   0.779528D+01 -0.351608D+01  0.834093D+01 -0.335692D+01  0.259956D+02
      6  -0.567148D+01  0.629780D+01 -0.120143D+01 -0.113912D+01 -0.156484D+02
               106           107           108           109           110 
      1  -0.285130D+02  0.124213D+02 -0.618380D+01  0.457792D+02 -0.140608D+02
      2   0.100502D+02  0.467735D+01  0.368651D+01 -0.219181D+02  0.461434D+01
      3   0.184628D+02 -0.170986D+02  0.249729D+01 -0.238611D+02  0.944649D+01
      4   0.265665D+02 -0.227674D+02  0.240758D+02 -0.265408D+02  0.204553D+02
      5  -0.213669D+02  0.220857D+02 -0.233016D+02  0.327203D+02 -0.702009D+01
      6   0.124008D+02 -0.183283D+02  0.529907D+01 -0.115418D+02  0.429197D+01
               111           112           113           114           115 
      1   0.249913D+02 -0.181153D+02  0.454709D+01 -0.193538D+01  0.462355D+02
      2  -0.148334D+02  0.390778D+01  0.635085D+01 -0.110568D+01 -0.219294D+02
      3  -0.101579D+02  0.142075D+02 -0.108979D+02  0.304106D+01 -0.243061D+02
      4  -0.110315D+02  0.256696D+02 -0.215059D+02  0.181928D+02 -0.289466D+02
      5   0.227507D+02 -0.127578D+02  0.176045D+02 -0.204044D+02  0.376050D+02
      6  -0.759040D+01  0.604361D+01 -0.119370D+02  0.176258D+02 -0.115767D+02
               116           117           118           119           120 
      1  -0.612989D+01  0.116264D+02 -0.403733D-01 -0.101389D+02 -0.131496D+02
      2  -0.381145D+01 -0.153445D+02 -0.352549D+01  0.131948D+02  0.852197D+01
      3   0.994134D+01  0.371817D+01  0.356586D+01 -0.305584D+01  0.462765D+01
      4   0.352780D+02 -0.204464D+02  0.102842D+01 -0.874657D+01  0.284496D+01
      5  -0.189218D+02  0.598102D+02 -0.859241D+01 -0.183465D+01  0.600765D+01
      6   0.168632D+02 -0.273003D+02  0.345031D+01  0.563853D+01  0.104554D+01
               121           122           123           124           125 
      1  -0.632827D+01 -0.544204D+01 -0.581175D+01 -0.147056D+02 -0.757111D+01
      2   0.157263D+02 -0.196719D+02  0.140046D+01  0.821430D+01  0.608426D+01
      3  -0.939802D+01  0.251140D+02  0.441129D+01  0.649130D+01  0.148685D+01
      4  -0.137411D+02  0.525752D+02 -0.117154D+01  0.132391D+02 -0.157300D+02
      5   0.861678D+00 -0.412403D+00 -0.491185D+01  0.184060D+02 -0.188253D+02
      6   0.327693D+01  0.536689D+00  0.105358D+02 -0.750912D+01  0.206917D+02
               126           127           128           129           130 
      1  -0.894181D+01 -0.109350D+01 -0.971501D-01  0.359982D+01 -0.294728D+01
      2  -0.695834D+01 -0.533531D+01 -0.133615D+01  0.563067D+01 -0.418073D+00
      3   0.159002D+02  0.642881D+01  0.143330D+01 -0.923049D+01  0.336535D+01
      4  -0.166996D+02  0.113089D+01  0.256256D+01 -0.916656D+00  0.124731D+01
      5  -0.346961D+02 -0.937200D+01 -0.265286D+01  0.123389D+02 -0.276509D+01
      6   0.235864D+02  0.167868D+00 -0.152302D+01 -0.542068D+00 -0.129164D+01
               131           132           133           134           135 
      1  -0.366404D+01  0.835337D+01  0.420490D+01  0.527632D+01 -0.250111D+02
      2  -0.385370D+00  0.326560D+01  0.688175D+01  0.200522D+01 -0.147373D+02
      3   0.404942D+01 -0.116190D+02 -0.110866D+02 -0.728154D+01  0.397485D+02
      4   0.117679D+01 -0.148485D+01 -0.185887D+01 -0.307880D+01  0.208275D+01
      5  -0.275639D+01  0.433316D+01  0.120814D+02  0.410676D+01 -0.192999D+02
      6  -0.293888D+01  0.218386D+01  0.990487D+00  0.543805D+01 -0.310945D+01
               136           137           138           139           140 
      1   0.334762D+01  0.498087D-01 -0.157832D+01  0.317157D+00 -0.205500D+01
      2  -0.568963D+01  0.105457D+01 -0.421800D+01  0.213067D+01 -0.237973D+00
      3   0.234200D+01 -0.110438D+01  0.579633D+01 -0.244783D+01  0.229298D+01
      4  -0.248881D+01  0.373424D+01 -0.135595D+01  0.251293D+01 -0.299426D+01
      5   0.114864D+02 -0.310518D+01  0.102379D+02 -0.458825D+01  0.335042D+01
      6  -0.571976D+00  0.164594D+01 -0.989014D+00  0.949349D+00 -0.278468D+01
               141           142           143           144           145 
      1   0.508019D+01 -0.438816D+01  0.422574D+01 -0.129637D+02 -0.290017D+01
      2   0.225717D+01 -0.529133D+01  0.103914D+01 -0.851406D+01 -0.304639D+01
      3  -0.733736D+01  0.967948D+01 -0.526488D+01  0.214778D+02  0.594657D+01
      4   0.151098D+01 -0.216959D+01  0.311805D+01 -0.262368D+01  0.551322D+01
      5  -0.597435D+01  0.125769D+02 -0.451486D+01  0.163432D+02 -0.973973D+01
      6   0.226960D+01 -0.193339D+01  0.473200D+01 -0.383211D+01 -0.594579D+01
               146           147           148           149           150 
      1  -0.175756D+01  0.566202D+01 -0.308348D+01 -0.498035D+01  0.949711D+01
      2   0.846871D-01  0.317673D+01 -0.515392D+00  0.848822D+00  0.693323D+00
      3   0.167287D+01 -0.883875D+01  0.359887D+01  0.413153D+01 -0.101904D+02
      4   0.381996D+01 -0.564045D+01  0.235692D+01  0.178340D+01 -0.300291D+01
      5  -0.371287D+01  0.126770D+02 -0.343838D+01 -0.277703D+01  0.439273D+01
      6  -0.346007D+01  0.643142D+01 -0.308981D+01 -0.541841D+01  0.906354D+01
               151           152           153           154           155 
      1   0.841039D+01  0.113852D+02 -0.310439D+02  0.238394D+01  0.252373D+01
      2   0.220541D+01 -0.262633D+01 -0.598347D+01 -0.315307D+01 -0.205839D+01
      3  -0.106158D+02 -0.875891D+01  0.370274D+02  0.769127D+00 -0.465345D+00
      4  -0.594932D+01 -0.530967D+01  0.838308D+01 -0.110879D+02  0.786155D+01
      5   0.114087D+02  0.567174D+01 -0.188154D+02  0.159337D+02 -0.637444D+01
      6   0.884234D+01  0.130125D+02 -0.242558D+02 -0.927029D+01  0.594130D+01
               156           157           158           159           160 
      1  -0.213583D+01  0.799752D+00 -0.396097D+01  0.564343D+01 -0.479684D+01
      2  -0.214220D+01  0.976111D+00  0.183183D+01  0.158913D+00 -0.242097D+01
      3   0.427804D+01 -0.177586D+01  0.212914D+01 -0.580234D+01  0.721781D+01
      4  -0.862612D+01  0.497559D+01 -0.556112D+01  0.613875D+01 -0.906647D+01
      5   0.144191D+02 -0.749053D+01  0.523610D+01 -0.850849D+01  0.156039D+02
      6  -0.914777D+01  0.578598D+01 -0.621495D+01  0.871933D+01 -0.108767D+02
               161           162           163           164           165 
      1   0.843421D+01 -0.163784D+02  0.817637D+01  0.267724D+00 -0.736556D+01
      2  -0.342698D+01 -0.261483D+01 -0.799555D+01 -0.488630D+00  0.653996D+01
      3  -0.500723D+01  0.189933D+02 -0.180821D+00  0.220906D+00  0.825598D+00
      4   0.751569D+01 -0.110184D+02 -0.189923D+01  0.716244D+01  0.414700D+01
      5  -0.810781D+01  0.207923D+02 -0.138718D+02  0.280731D+01  0.152476D+02
      6   0.119496D+02 -0.188481D+02  0.208971D+01 -0.143509D+01 -0.205818D+01
               166           167           168           169           170 
      1   0.901753D+01  0.162801D+01 -0.203495D+01 -0.146206D+02 -0.302178D+01
      2  -0.568913D+01 -0.483310D+00  0.149066D+01  0.137622D+02  0.340637D+00
      3  -0.332840D+01 -0.114470D+01  0.544291D+00  0.858472D+00  0.268114D+01
      4   0.737328D+01 -0.394565D+01 -0.445752D+01  0.616901D+01 -0.849419D+01
      5  -0.990217D+00 -0.477385D+01  0.202879D+01  0.229483D+02 -0.867746D+01
      6  -0.161476D+01  0.137323D+01  0.529521D+01 -0.542244D+01  0.646035D+01
               171           172           173           174           175 
      1  -0.550663D+01  0.229574D+02 -0.929550D+01  0.381366D+01 -0.152414D+02
      2  -0.139504D+02 -0.454614D+01 -0.243261D+00 -0.905579D+00 -0.323284D+01
      3   0.194571D+02 -0.184112D+02  0.953876D+01 -0.290808D+01  0.184742D+02
      4  -0.114893D+02 -0.226575D+02  0.254215D+02 -0.153001D+01  0.377470D+02
      5  -0.455777D+02  0.449780D+01 -0.359923D+00  0.490325D+01 -0.105484D+01
      6   0.122396D+02 -0.104685D+01 -0.292992D+00 -0.105685D+01  0.575574D+00
               176           177           178           179           180 
      1   0.537133D+00  0.381994D+00  0.211432D+02  0.712191D+00  0.130705D+01
      2   0.216952D+02 -0.261326D+01 -0.634922D+01 -0.434399D+01 -0.810191D-01
      3  -0.222323D+02  0.223126D+01 -0.147940D+02  0.363180D+01 -0.122603D+01
      4  -0.533792D+02  0.614527D+01 -0.103492D+02  0.166889D+02 -0.906651D+01
      5   0.557441D+01 -0.560937D+01  0.889360D+01 -0.794560D+01  0.225156D+01
      6  -0.110309D+01  0.456357D+01 -0.358941D+01  0.565595D+01 -0.213866D+01
               181           182           183           184           185 
      1  -0.124423D+01 -0.297913D+01  0.107431D+02 -0.966551D+01 -0.115763D+02
      2  -0.310528D+01  0.504151D+00 -0.292983D+01  0.431249D+01  0.545990D+01
      3   0.434951D+01  0.247498D+01 -0.781331D+01  0.535301D+01  0.611643D+01
      4  -0.478297D+01 -0.405727D+01  0.125794D+00 -0.281568D+01  0.117247D+01
      5   0.704757D+01 -0.223503D+00 -0.208713D+01  0.107346D+01  0.407116D+01
      6   0.125381D+01  0.273271D+00 -0.158714D+01 -0.562290D+00 -0.441622D-01
               186           187           188           189           190 
      1   0.160440D-01  0.211854D+02 -0.538358D+00 -0.239216D+02 -0.563452D+02
      2   0.735908D+00 -0.942611D+01  0.134675D+01 -0.872281D+01  0.324915D+02
      3  -0.751952D+00 -0.117593D+02 -0.808395D+00  0.326444D+02  0.238537D+02
      4   0.359098D+01  0.167627D+01  0.641081D+01 -0.211369D+01 -0.165740D+02
      5  -0.889587D+00 -0.878319D+00 -0.669034D+00  0.530563D+02  0.342060D+01
      6   0.711130D+01 -0.253993D+00  0.323153D+01  0.674323D+01  0.273396D+01
               191           192           193           194           195 
      1   0.155452D+02  0.264792D+01  0.679554D+01 -0.958466D+01 -0.866800D+00
      2  -0.154141D+02 -0.126214D+01 -0.751850D+01  0.948399D+01  0.171749D+01
      3  -0.131061D+00 -0.138578D+01  0.722953D+00  0.100664D+00 -0.850689D+00
      4  -0.459458D+01  0.252502D+01  0.299159D+01 -0.201185D+00  0.210896D+01
      5   0.124125D+01 -0.168236D+01 -0.672685D-01  0.250718D+01  0.892597D+00
      6   0.220926D+00 -0.336434D+01  0.680331D+00  0.126484D+01  0.216942D+01
               196           197           198           199           200 
      1   0.450798D+01 -0.287954D+01 -0.543148D+01  0.190685D+01  0.213109D+01
      2  -0.163948D+01  0.343510D+01  0.225869D+01 -0.151037D+01  0.127064D+01
      3  -0.286849D+01 -0.555557D+00  0.317279D+01 -0.396482D+00 -0.340174D+01
      4   0.105769D+01  0.385849D+01  0.225712D+01  0.611993D+01  0.953055D+01
      5   0.147882D+01  0.324889D+01 -0.333927D+01 -0.101625D+02 -0.353009D+01
      6  -0.208863D+01  0.387285D+01 -0.130035D+01 -0.376984D+01 -0.191695D+01
               201           202           203           204           205 
      1  -0.689994D+01 -0.778075D+00 -0.751725D+00  0.275579D+01 -0.106023D+02
      2   0.536419D+01  0.246605D+01  0.225291D+01 -0.275550D+01  0.761278D+01
      3   0.153575D+01 -0.168798D+01 -0.150118D+01 -0.289771D-03  0.298951D+01
      4  -0.545390D+01  0.623147D+01  0.701010D+01 -0.504784D+01 -0.914034D+01
      5   0.141117D+02 -0.424017D+00 -0.539069D+01  0.307727D+01  0.160222D+02
      6   0.539847D+01 -0.159470D+01 -0.311092D+01  0.785173D+01  0.758439D+01
               206           207           208           209           210 
      1   0.612829D+01 -0.711603D+01  0.141949D+02  0.101332D+02  0.571895D+01
      2  -0.562914D+01 -0.828528D+01  0.229305D+01  0.801608D+01  0.676122D-01
      3  -0.499150D+00  0.154013D+02 -0.164879D+02 -0.181492D+02 -0.578657D+01
      4  -0.141647D+02  0.174089D+02  0.283105D+02  0.357446D+02  0.911285D+01
      5   0.151650D+02 -0.504350D+02  0.837544D+01  0.650569D+01  0.927285D+01
      6   0.129082D+02 -0.291174D+02  0.540696D+01  0.507447D+01  0.633797D+01
               211           212           213           214           215 
      1   0.864388D+01 -0.208328D+01 -0.887328D+00  0.100817D+02 -0.150552D+01
      2   0.925832D+01  0.315014D+02  0.807992D+01 -0.260368D+00  0.124218D+02
      3  -0.179022D+02 -0.294181D+02 -0.719259D+01 -0.982130D+01 -0.109162D+02
      4   0.351755D+02  0.574927D+02  0.158318D+02  0.172741D+02  0.287117D+02
      5   0.692120D+01  0.142262D+02  0.105525D+02  0.118255D+02  0.148660D+02
      6   0.586118D+01  0.126048D+02  0.101238D+02  0.792383D+01  0.128841D+02
               216           217           218           219           220 
      1   0.128535D+01  0.256710D+02  0.133362D+01 -0.187984D+02  0.406547D+01
      2   0.258612D+01 -0.153274D+02 -0.564960D+00  0.107510D+02 -0.181016D+01
      3  -0.387147D+01 -0.103436D+02 -0.768655D+00  0.804741D+01 -0.225531D+01
      4   0.168328D+02  0.209951D+01  0.825726D+01  0.374970D+00  0.151886D+02
      5   0.918472D+01 -0.196778D+02  0.721445D+00  0.237440D+02 -0.102261D+00
      6   0.820685D+01 -0.312498D+00  0.360237D+00  0.332750D+00 -0.108679D+01
               221           222           223           224           225 
      1   0.104741D+02  0.524422D+00 -0.490808D+02  0.184209D+01  0.299057D+02
      2  -0.534478D+01 -0.544297D+00  0.293927D+02 -0.154551D+01 -0.243683D+02
      3  -0.512929D+01  0.198746D-01  0.196881D+02 -0.296571D+00 -0.553735D+01
      4  -0.183558D+01 -0.485235D+01  0.149453D+00 -0.109298D+02  0.928121D+00
      5  -0.461909D+01  0.152360D+01  0.446764D+02 -0.650299D-01 -0.720727D+02
      6  -0.584642D+00  0.432423D+01  0.168465D+01  0.418914D+01 -0.207431D+01
               226           227           228           229           230 
      1   0.252756D+02 -0.199715D+02  0.985773D+01 -0.446987D+02  0.312922D+02
      2  -0.119382D+02  0.944405D+01 -0.522596D+01  0.216475D+02 -0.100111D+02
      3  -0.133373D+02  0.105274D+02 -0.463177D+01  0.230511D+02 -0.212810D+02
      4  -0.205437D+02  0.241082D+02 -0.677738D+01  0.429021D+02 -0.661488D+02
      5   0.114095D+02 -0.749853D+01  0.113930D+02 -0.144847D+02  0.240882D+02
      6  -0.241440D+01  0.187032D+01 -0.871346D+00  0.446810D+01 -0.684449D+01
               231           232           233           234           235 
      1  -0.893829D+01  0.207347D+02 -0.780117D+01  0.138466D+02  0.611347D+02
      2   0.532553D+01 -0.116182D+02  0.487002D+01 -0.973459D+01 -0.295928D+02
      3   0.361276D+01 -0.911647D+01  0.293116D+01 -0.411197D+01 -0.315420D+02
      4   0.226218D+02 -0.115125D+02  0.245735D+02 -0.143654D+02  0.337349D+02
      5  -0.190676D+02  0.214803D+02 -0.156016D+02  0.128919D+02  0.248817D+02
      6   0.569442D+01 -0.245043D+01  0.617071D+01 -0.413931D+01  0.520095D+01
               236           237           238           239           240 
      1   0.280430D+02  0.198500D+02  0.607141D+02  0.313390D+02  0.142770D+02
      2  -0.126881D+02 -0.105338D+02 -0.272786D+02 -0.959752D+01 -0.709708D+01
      3  -0.153548D+02 -0.931621D+01 -0.334355D+02 -0.217415D+02 -0.717995D+01
      4   0.280216D+02  0.123069D+02  0.476595D+02  0.420184D+02  0.218910D+02
      5   0.127733D+02  0.202326D+02  0.228626D+02  0.224656D+02  0.208831D+02
      6   0.297367D+01  0.277935D+01  0.704599D+01  0.691609D+01  0.631036D+01
               241           242           243           244           245 
      1   0.391621D+02  0.125857D+02  0.218809D+02  0.734715D+00  0.332354D+01
      2  -0.209892D+02 -0.620337D+01 -0.142401D+02 -0.422046D+01 -0.159752D+01
      3  -0.181729D+02 -0.638236D+01 -0.764076D+01  0.348574D+01 -0.172603D+01
      4   0.199429D+02  0.240139D+02  0.163440D+02  0.615117D+01  0.582743D+01
      5   0.340157D+02  0.168662D+02  0.206676D+02 -0.121739D+02 -0.153370D+01
      6   0.600228D+01  0.651189D+01  0.580344D+01 -0.376833D+01 -0.381922D+00
               246           247           248           249           250 
      1  -0.701994D+01  0.366655D+01  0.386009D+00  0.200817D+01 -0.855003D+01
      2   0.539315D+01 -0.161358D+01  0.189287D-01 -0.451754D+00  0.908334D+01
      3   0.162679D+01 -0.205298D+01 -0.404937D+00 -0.155642D+01 -0.533315D+00
      4  -0.253327D+01  0.997028D+01  0.472311D+01 -0.734652D+01 -0.482703D+01
      5   0.127778D+02 -0.212740D+01 -0.741345D+01  0.929304D+01  0.178831D+02
      6   0.231594D+01 -0.171705D+01 -0.383781D+01  0.741035D+01  0.349367D+01
               251           252           253           254           255 
      1   0.248309D+01 -0.547946D+01 -0.929383D+02 -0.154387D+02  0.821034D+01
      2   0.576674D+00 -0.134504D+02  0.464396D+02  0.178422D+02 -0.538909D+01
      3  -0.305976D+01  0.189299D+02  0.464987D+02 -0.240358D+01 -0.282125D+01
      4  -0.107534D+02  0.100879D+02 -0.234851D+02  0.271284D+02  0.963386D+01
      5   0.869840D+01 -0.423853D+02  0.109605D+02  0.613614D+01  0.111841D+02
      6   0.627503D+01 -0.123313D+02  0.918094D+01  0.419066D+01  0.441789D+01
               256           257           258           259           260 
      1   0.123225D+02  0.381351D+02  0.343566D+00  0.289905D+02  0.138893D+01
      2   0.235813D+01 -0.377262D+02  0.203052D+00 -0.100271D+02  0.472687D+01
      3  -0.146806D+02 -0.408871D+00 -0.546618D+00 -0.189634D+02 -0.611581D+01
      4   0.388862D+02 -0.148497D+02  0.122984D+02  0.234931D+02  0.220391D+02
      5   0.125096D+02  0.152727D+02  0.141431D+02  0.169202D+02  0.122304D+02
      6   0.831215D+01  0.545963D+01  0.781232D+01  0.914945D+01  0.773468D+01
               261           262           263           264           265 
      1   0.138305D+02  0.510096D+01 -0.805637D+01 -0.180422D+01 -0.385898D+01
      2   0.609246D+01  0.365324D+01 -0.334157D+01 -0.259920D+00 -0.982027D+01
      3  -0.199229D+02 -0.875421D+01  0.113979D+02  0.206414D+01  0.136793D+02
      4   0.158582D+02 -0.159030D+02  0.236722D+02  0.510942D+01  0.300482D+02
      5  -0.276902D+02 -0.563260D+01  0.647204D+01  0.432819D+01  0.784505D+01
      6  -0.873272D+01  0.390874D+01 -0.451712D+01 -0.179460D+01 -0.636178D+01
               266           267           268           269           270 
      1  -0.124285D+02 -0.360864D+01  0.736816D+00 -0.204040D+00 -0.177850D+01
      2   0.431648D+02  0.617127D+01  0.284832D+01 -0.796771D+01  0.192547D+01
      3  -0.307363D+02 -0.256263D+01 -0.358514D+01  0.817175D+01 -0.146976D+00
      4  -0.731233D+02 -0.148443D+02 -0.488450D+01  0.114927D+02 -0.405671D+01
      5  -0.172464D+02 -0.125262D+02  0.224801D+01 -0.385351D+01 -0.343433D+01
      6   0.193957D+02  0.954407D+01 -0.138713D+01  0.452575D+01  0.237863D+01
               271           272           273           274           275 
      1   0.136217D+03  0.158124D+02 -0.388184D+01 -0.273544D+01  0.717879D+01
      2  -0.628661D+02 -0.318394D+01  0.150340D+01  0.461905D+01  0.194007D-01
      3  -0.733509D+02 -0.126284D+02  0.237845D+01 -0.188362D+01 -0.719819D+01
      4   0.541576D+02  0.218638D+02  0.199561D+00  0.139996D+02  0.759489D+01
      5   0.481575D+01  0.154690D+01  0.132137D+02 -0.697564D+00 -0.165398D+01
      6  -0.506749D+00  0.146066D+01  0.421660D+01  0.102986D+00 -0.665844D-01
               276           277           278           279           280 
      1   0.135550D+00 -0.183501D+02 -0.204822D+01  0.984213D+01  0.713015D+00
      2  -0.284480D+00  0.766715D+01 -0.582488D+00 -0.686798D+01  0.297356D+01
      3   0.148930D+00  0.106829D+02  0.263071D+01 -0.297416D+01 -0.368658D+01
      4  -0.184082D+01 -0.921752D+01 -0.590399D+01  0.307256D+01  0.420893D+01
      5  -0.100705D+01  0.143704D+02  0.108486D+01 -0.340250D+00 -0.226951D+01
      6   0.188297D+00  0.401853D+01  0.980695D+00 -0.194489D+00 -0.968915D+00
               281           282           283           284           285 
      1   0.153788D+02 -0.114040D+01  0.114535D+02 -0.343137D+02 -0.211653D+00
      2  -0.164200D+02  0.883210D+00 -0.540053D+01  0.554075D+02 -0.845395D+00
      3   0.104115D+01  0.257185D+00 -0.605296D+01 -0.210938D+02  0.105705D+01
      4  -0.910972D+01 -0.215773D+01  0.856191D+01  0.523992D+02 -0.438770D+00
      5  -0.256683D+00 -0.273906D+01  0.142215D+01 -0.311688D+01  0.569556D+01
      6  -0.153326D+01 -0.238449D+01 -0.304804D+00  0.428438D+01  0.652519D+01
               286           287           288           289           290 
      1  -0.522295D+01  0.205677D+01 -0.579120D+01  0.717334D+01  0.157937D+01
      2   0.147717D+01 -0.569049D+01  0.460716D+01 -0.636716D+01 -0.213388D+01
      3   0.374578D+01  0.363373D+01  0.118404D+01 -0.806181D+00  0.554512D+00
      4  -0.438145D+01 -0.100734D+02  0.352218D+01  0.546992D+00 -0.277447D+01
      5   0.443656D+00  0.472933D+01  0.557591D+00  0.382127D+01 -0.126140D+01
      6  -0.489218D+00  0.690296D+01 -0.337016D+00  0.269145D+00 -0.140569D+01
               291           292           293           294           295 
      1   0.585275D+01 -0.531790D+01 -0.607496D+01 -0.649512D+00  0.112695D+02
      2  -0.243635D+01  0.212480D+01  0.362030D+01  0.312768D+01 -0.687025D+01
      3  -0.341640D+01  0.319310D+01  0.245466D+01 -0.247817D+01 -0.439922D+01
      4   0.156769D+00 -0.325422D+01 -0.206760D+01  0.234707D+01  0.663355D+01
      5   0.689100D+00 -0.244835D+01  0.211868D+01 -0.568277D+01  0.101489D+02
      6  -0.107374D+01 -0.798136D+00  0.323255D+00  0.148192D+01  0.211941D+01
               296           297 
      1  -0.109464D+01 -0.120910D+02
      2   0.347394D+01 -0.134834D+02
      3  -0.237931D+01  0.255744D+02
      4   0.101876D+02  0.637283D+00
      5   0.179122D+01  0.457222D+02
      6   0.464067D+01  0.181930D+02
 Leave Link  716 at Mon Sep 27 13:28:14 2021, MaxMem=  6442450944 cpu:               7.3 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228721D+03 -0.203772D+01  0.201196D+01
      2  -0.203772D+01  0.141927D+03 -0.745033D+01
      3   0.201196D+01 -0.745033D+01  0.152108D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.830586D+01 -0.742406D+01  0.236273D+02
      2  -0.489436D+00 -0.785642D+01  0.360010D+02
      3  -0.109081D+03 -0.403713D+02  0.134691D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.259295D+03  0.393499D+02 -0.237437D+02
      2  -0.140302D+03 -0.211282D+02  0.431198D+02
      3  -0.118993D+03 -0.182217D+02 -0.193762D+02
      4  -0.407160D+02  0.723880D+02 -0.172627D+02
      5  -0.256742D+02 -0.232215D+02  0.752148D+02
      6  -0.121349D+01  0.243508D+02 -0.362986D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.142383D+02 -0.169969D-01  0.778640D+00  0.656636D+01  0.225520D+01
      2  -0.169969D-01  0.143744D+01  0.219839D-01  0.225520D+01  0.200913D+01
      3   0.778640D+00  0.219839D-01  0.159361D+01 -0.166631D+00 -0.278936D+01
                 6             7             8             9            10 
      1  -0.166631D+00 -0.115797D+02  0.340622D+00 -0.593963D+00  0.346752D+02
      2  -0.278936D+01  0.340622D+00 -0.143608D+01 -0.122502D+01  0.149692D+01
      3  -0.226319D+01 -0.593963D+00 -0.122502D+01 -0.187122D+01 -0.108688D+01
                11            12            13            14            15 
      1   0.149692D+01 -0.108688D+01 -0.527176D+00  0.455377D+01  0.119653D+01
      2   0.206090D+01 -0.771387D+00  0.455377D+01 -0.823554D+00 -0.155363D+00
      3  -0.771387D+00  0.300776D+01  0.119653D+01 -0.155363D+00 -0.864550D+00
                16            17            18            19            20 
      1  -0.458807D+01  0.151833D+01  0.146198D+01  0.108389D+02 -0.131465D+00
      2   0.151833D+01  0.161939D+00 -0.701601D+00 -0.131465D+00 -0.143331D+01
      3   0.146198D+01 -0.701601D+00 -0.550063D+00 -0.735365D+00 -0.360341D+00
                21            22            23            24            25 
      1  -0.735365D+00  0.518698D+01 -0.141761D+01 -0.108096D+01 -0.155092D+02
      2  -0.360341D+00 -0.141761D+01  0.260221D+01 -0.228149D+01 -0.525764D-01
      3  -0.342928D+01 -0.108096D+01 -0.228149D+01 -0.120941D+01  0.713464D+00
                26            27            28            29            30 
      1  -0.525764D-01  0.713464D+00 -0.327640D+02 -0.355073D+00  0.109025D+01
      2  -0.851978D+00 -0.846562D+00 -0.355073D+00 -0.182275D+01  0.256178D+00
      3  -0.846562D+00 -0.161499D+01  0.109025D+01  0.256178D+00 -0.275796D+01
                31            32            33            34            35 
      1   0.192436D+01 -0.499104D+01 -0.131451D+01  0.274469D+01 -0.120425D+01
      2  -0.499104D+01  0.629039D+00  0.368221D+00 -0.120425D+01 -0.236436D+00
      3  -0.131451D+01  0.368221D+00  0.437416D-01 -0.978095D+00 -0.757798D+00
                36            37            38            39            40 
      1  -0.978095D+00  0.158434D+02 -0.541145D+00 -0.944033D+00 -0.386070D+01
      2  -0.757798D+00 -0.541145D+00 -0.243209D+01  0.131544D+01 -0.201702D+01
      3   0.985648D+00 -0.944033D+00  0.131544D+01 -0.232264D+01 -0.268898D+00
                41            42            43            44            45 
      1  -0.201702D+01 -0.268898D+00  0.131330D+02 -0.206280D+01  0.684290D+00
      2  -0.271774D+01  0.257199D+01 -0.206280D+01  0.160813D+01  0.134182D+01
      3   0.257199D+01  0.207742D+01  0.684290D+00  0.134182D+01  0.146956D+01
                46            47            48            49            50 
      1  -0.116797D+02  0.669988D+00  0.542141D+00 -0.343870D+01  0.974089D+00
      2   0.669988D+00  0.199077D+01 -0.751512D+00  0.974089D+00 -0.364352D+01
      3   0.542141D+00 -0.751512D+00  0.364500D+01  0.164092D+01  0.217117D+01
                51            52            53            54            55 
      1   0.164092D+01  0.150388D+02  0.139737D+01 -0.124232D+01 -0.188591D+02
      2   0.217117D+01  0.139737D+01  0.340998D-02  0.151908D+01 -0.213668D+01
      3   0.111350D+01 -0.124232D+01  0.151908D+01  0.827936D+00 -0.265638D+00
                56            57            58            59            60 
      1  -0.213668D+01 -0.265638D+00 -0.701497D+01 -0.776437D+01 -0.524156D+00
      2  -0.376076D+01 -0.144333D+00 -0.776437D+01  0.275335D+01 -0.171424D+01
      3  -0.144333D+00 -0.139002D+01 -0.524156D+00 -0.171424D+01 -0.119805D+00
                61            62            63            64            65 
      1  -0.704760D+01 -0.138347D+01 -0.316687D+01 -0.342692D+00  0.329331D+01
      2  -0.138347D+01 -0.334992D+01  0.628223D+00  0.329331D+01  0.421820D+01
      3  -0.316687D+01  0.628223D+00  0.560063D+01 -0.547582D-01  0.409471D+00
                66            67            68            69            70 
      1  -0.547582D-01  0.132116D+02  0.717030D+01  0.795181D+00  0.721636D+01
      2   0.409471D+00  0.717030D+01 -0.205362D+01  0.227601D+01  0.145138D+01
      3   0.261161D+01  0.795181D+00  0.227601D+01  0.646819D+00  0.408212D+01
                71            72            73            74            75 
      1   0.145138D+01  0.408212D+01  0.614260D+01 -0.287411D+01 -0.119594D+01
      2   0.342401D+01  0.695343D+00 -0.287411D+01 -0.372537D+01 -0.754905D+00
      3   0.695343D+00 -0.778013D+01 -0.119594D+01 -0.754905D+00 -0.193757D+01
                76            77            78            79            80 
      1  -0.396073D+01 -0.423183D+01 -0.951811D+00 -0.263859D+01 -0.995514D+00
      2  -0.423183D+01 -0.840189D-01 -0.298576D+01 -0.995514D+00 -0.427003D+01
      3  -0.951811D+00 -0.298576D+01 -0.109743D+01 -0.277559D+01 -0.215239D+01
                81            82            83            84            85 
      1  -0.277559D+01  0.592701D+01 -0.190640D+01 -0.641806D+00 -0.455843D+01
      2  -0.215239D+01 -0.190640D+01 -0.359242D+01 -0.589585D+00 -0.613395D+01
      3   0.556528D+01 -0.641806D+00 -0.589585D+00 -0.285374D+01 -0.929521D+00
                86            87            88            89            90 
      1  -0.613395D+01 -0.929521D+00 -0.250686D+01 -0.100801D+01 -0.484935D+01
      2   0.243009D+01 -0.389188D+01 -0.100801D+01 -0.403546D+01 -0.339147D+00
      3  -0.389188D+01 -0.527637D+00 -0.484935D+01 -0.339147D+00  0.473419D+01
                91            92            93            94            95 
      1   0.685977D+01  0.236337D+01  0.318577D+00 -0.142578D+01  0.700174D+01
      2   0.236337D+01  0.260618D+01  0.126638D+01  0.700174D+01 -0.430371D+01
      3   0.318577D+00  0.126638D+01  0.144958D+01  0.208248D+01 -0.105130D+00
                96            97            98            99           100 
      1   0.208248D+01  0.416290D+01  0.211328D+01  0.198345D+01  0.309470D+01
      2  -0.105130D+00  0.211328D+01  0.231425D+01  0.212117D+01 -0.199463D+01
      3   0.153802D+01  0.198345D+01  0.212117D+01 -0.434839D+01  0.177400D+01
               101           102           103           104           105 
      1  -0.199463D+01  0.177400D+01 -0.220510D+01 -0.128083D+01 -0.139850D+01
      2   0.514275D-01 -0.100789D+01 -0.128083D+01  0.493938D+01  0.118689D+00
      3  -0.100789D+01  0.369903D+00 -0.139850D+01  0.118689D+00 -0.170579D+01
               106           107           108           109           110 
      1   0.390486D+01 -0.327569D+01  0.150079D+01 -0.588360D+01  0.231615D+01
      2  -0.327569D+01  0.231147D+01 -0.284738D+01  0.231615D+01 -0.144437D+01
      3   0.150079D+01 -0.284738D+01  0.278286D+01 -0.362176D+01  0.765981D+00
               111           112           113           114           115 
      1  -0.362176D+01  0.393600D+01 -0.252022D+01  0.129827D+01 -0.100165D+02
      2   0.765981D+00 -0.252022D+01  0.224929D+01 -0.221755D+01  0.370889D+01
      3  -0.181778D+01  0.129827D+01 -0.221755D+01  0.202095D+01 -0.338600D+01
               116           117           118           119           120 
      1   0.370889D+01 -0.338600D+01  0.985819D+00 -0.732095D-02  0.125593D+01
      2  -0.463939D+01  0.225459D+01 -0.732095D-02  0.239234D+01  0.492286D+00
      3   0.225459D+01 -0.740976D+01  0.125593D+01  0.492286D+00  0.241360D+00
               121           122           123           124           125 
      1   0.713146D+00  0.245953D+01  0.217511D+00  0.445971D+01 -0.143349D+01
      2   0.245953D+01 -0.715561D+01  0.559252D+00 -0.143349D+01  0.265298D+01
      3   0.217511D+00  0.559252D+00  0.208448D+00 -0.118991D+01  0.276937D+01
               126           127           128           129           130 
      1  -0.118991D+01  0.195048D+01  0.627186D+00 -0.203471D+01  0.202832D+00
      2   0.276937D+01  0.627186D+00  0.246500D+00 -0.438908D+00  0.150915D+00
      3   0.468822D+01 -0.203471D+01 -0.438908D+00  0.214660D+01 -0.695376D+00
               131           132           133           134           135 
      1   0.150915D+00 -0.695376D+00 -0.231787D+01 -0.897748D+00  0.275638D+01
      2   0.393163D+00 -0.638542D+00 -0.897748D+00 -0.113107D+01  0.174373D+01
      3  -0.638542D+00  0.228386D+01  0.275638D+01  0.174373D+01 -0.726025D+01
               136           137           138           139           140 
      1  -0.361807D+01  0.101794D+01 -0.191824D+01  0.155344D+01 -0.588891D+00
      2   0.101794D+01 -0.664624D+00  0.629888D+00 -0.588891D+00  0.572189D+00
      3  -0.191824D+01  0.629888D+00 -0.179095D+01  0.114693D+01 -0.624068D+00
               141           142           143           144           145 
      1   0.114693D+01 -0.232835D+01  0.908267D+00 -0.257540D+01 -0.206159D+01
      2  -0.624068D+00  0.908267D+00 -0.116444D+01  0.143927D+01 -0.694642D+00
      3   0.171820D+01 -0.257540D+01  0.143927D+01 -0.453887D+01  0.214343D+01
               146           147           148           149           150 
      1  -0.694642D+00  0.214343D+01 -0.485528D+00 -0.169334D+00  0.747907D+00
      2  -0.320384D+00  0.690706D+00 -0.169334D+00 -0.576944D+00  0.863493D+00
      3   0.690706D+00 -0.226915D+01  0.747907D+00  0.863493D+00 -0.242341D+01
               151           152           153           154           155 
      1   0.203436D+01  0.109784D+01 -0.281955D+01  0.371893D+01 -0.118756D+01
      2   0.109784D+01  0.156754D+01 -0.249854D+01 -0.118756D+01  0.882426D+00
      3  -0.281955D+01 -0.249854D+01  0.758936D+01  0.258913D+01 -0.118257D+01
               156           157           158           159           160 
      1   0.258913D+01 -0.212815D+01  0.843013D+00 -0.144900D+01  0.269872D+01
      2  -0.118257D+01  0.843013D+00 -0.861057D+00  0.941715D+00 -0.131736D+01
      3   0.235031D+01 -0.144900D+01  0.941715D+00 -0.207481D+01  0.304234D+01
               161           162           163           164           165 
      1  -0.131736D+01  0.304234D+01  0.115065D+01 -0.354099D-01 -0.149102D+01
      2   0.163017D+01 -0.221339D+01 -0.354099D-01  0.710721D+00  0.305255D+00
      3  -0.221339D+01  0.512904D+01 -0.149102D+01  0.305255D+00  0.136365D+01
               166           167           168           169           170 
      1   0.192557D+01  0.117948D+01 -0.922154D-01 -0.377251D+01  0.139732D+00
      2   0.117948D+01 -0.412790D+00 -0.702787D+00  0.139732D+00 -0.112275D+01
      3  -0.922154D-01 -0.702787D+00  0.180615D+00  0.249851D+01 -0.123617D+01
               171           172           173           174           175 
      1   0.249851D+01  0.467375D+01 -0.193190D+01  0.610419D+00 -0.455550D+01
      2  -0.123617D+01 -0.193190D+01  0.244223D+01 -0.437482D-01  0.372171D+01
      3  -0.632956D+01  0.610419D+00 -0.437482D-01  0.336223D+00 -0.189545D+00
               176           177           178           179           180 
      1   0.372171D+01 -0.189545D+00  0.554240D+01 -0.485319D+00  0.105320D+01
      2  -0.680399D+01  0.819110D+00 -0.485319D+00  0.215016D+01 -0.109420D+01
      3   0.819110D+00 -0.722839D+00  0.105320D+01 -0.109420D+01  0.273771D+00
               181           182           183           184           185 
      1  -0.755262D+00 -0.827599D+00  0.122063D+01 -0.179234D+01 -0.845839D+00
      2  -0.827599D+00 -0.847137D+00 -0.544106D-01 -0.845839D+00  0.198914D+00
      3   0.122063D+01 -0.544106D-01 -0.990167D+00  0.108127D+00  0.648303D+00
               186           187           188           189           190 
      1   0.108127D+00  0.221379D+01  0.147277D+00 -0.704960D+00 -0.890861D+01
      2   0.648303D+00  0.147277D+00  0.106768D+01 -0.555258D-01  0.689709D+00
      3  -0.527968D-01 -0.704960D+00 -0.555258D-01  0.744424D+01  0.487024D+00
               191           192           193           194           195 
      1   0.689709D+00  0.487024D+00  0.245063D+00 -0.128231D+01  0.618080D-01
      2  -0.237915D+01  0.814075D-01 -0.128231D+01  0.780846D+00  0.348678D+00
      3   0.814075D-01 -0.636201D+00  0.618080D-01  0.348678D+00  0.422190D+00
               196           197           198           199           200 
      1   0.556837D+00 -0.169815D+00 -0.299017D+00  0.355181D+00  0.672825D+00
      2  -0.169815D+00  0.606073D+00  0.621529D+00  0.672825D+00  0.915371D+00
      3  -0.299017D+00  0.621529D+00 -0.295429D+00 -0.101420D+01 -0.296380D+00
               201           202           203           204           205 
      1  -0.101420D+01  0.307042D+00  0.571813D+00 -0.686451D-01 -0.172333D+01
      2  -0.296380D+00  0.571813D+00  0.853274D+00 -0.694602D+00 -0.561889D+00
      3   0.137615D+01 -0.686451D-01 -0.694602D+00  0.535327D+00  0.151614D+01
               206           207           208           209           210 
      1  -0.561889D+00  0.151614D+01  0.253725D+01  0.280845D+01  0.958373D+00
      2  -0.199328D+01  0.200317D+01  0.280845D+01  0.355399D+01  0.775433D+00
      3   0.200317D+01 -0.677541D+01  0.958373D+00  0.775433D+00  0.970526D+00
               211           212           213           214           215 
      1   0.231689D+01  0.346886D+01  0.911695D+00  0.199397D+01  0.165022D+01
      2   0.346886D+01  0.691348D+01  0.197445D+01  0.165022D+01  0.359015D+01
      3   0.911695D+00  0.197445D+01  0.134525D+01  0.131100D+01  0.195024D+01
               216           217           218           219           220 
      1   0.131100D+01  0.200035D+01  0.126415D+00 -0.150679D+01  0.451239D+00
      2   0.195024D+01  0.126415D+00  0.598725D+00  0.623579D-01  0.122024D+01
      3   0.111879D+01 -0.150679D+01  0.623579D-01  0.165721D+01 -0.167388D-01
               221           222           223           224           225 
      1   0.122024D+01 -0.167388D-01 -0.451721D+01  0.118612D+00  0.349214D+01
      2  -0.176793D+00 -0.447239D+00  0.118612D+00 -0.924546D+00 -0.262092D-01
      3  -0.447239D+00  0.147655D+00  0.349214D+01 -0.262092D-01 -0.620908D+01
               226           227           228           229           230 
      1   0.189051D+01 -0.171257D+01  0.845798D+00 -0.411093D+01  0.355256D+01
      2  -0.171257D+01  0.178349D+01 -0.520950D+00  0.355256D+01 -0.599728D+01
      3   0.845798D+00 -0.520950D+00  0.832820D+00 -0.108030D+01  0.202329D+01
               231           232           233           234           235 
      1  -0.108030D+01  0.196997D+01 -0.972253D+00  0.169932D+01  0.498541D+01
      2   0.202329D+01 -0.972253D+00  0.224075D+01 -0.134298D+01  0.254614D+01
      3  -0.154177D+01  0.169932D+01 -0.134298D+01  0.109804D+01  0.180562D+01
               236           237           238           239           240 
      1   0.254614D+01  0.180562D+01  0.617813D+01  0.379765D+01  0.172263D+01
      2   0.198667D+01  0.949531D+00  0.379765D+01  0.348718D+01  0.186432D+01
      3   0.949531D+00  0.136842D+01  0.172263D+01  0.186432D+01  0.163751D+01
               241           242           243           244           245 
      1   0.402074D+01  0.160083D+01  0.262424D+01  0.446985D+00 -0.862632D+00
      2   0.160083D+01  0.204736D+01  0.139085D+01 -0.862632D+00 -0.494509D+00
      3   0.262424D+01  0.139085D+01  0.163838D+01  0.136554D+01  0.896067D-01
               246           247           248           249           250 
      1   0.136554D+01 -0.124167D+01 -0.106690D+01  0.191184D+00  0.263171D+01
      2   0.896067D-01 -0.106690D+01 -0.627615D+00  0.110847D+01  0.288995D+00
      3  -0.115581D+01  0.191184D+00  0.110847D+01 -0.128963D+01 -0.198822D+01
               251           252           253           254           255 
      1   0.288995D+00 -0.198822D+01  0.927384D+01  0.415616D-02 -0.174652D+01
      2   0.147141D+01 -0.118481D+01  0.415616D-02 -0.394625D+01 -0.914076D+00
      3  -0.118481D+01  0.611184D+01 -0.174652D+01 -0.914076D+00 -0.120536D+01
               256           257           258           259           260 
      1  -0.545356D+01 -0.427542D+01 -0.142266D+01 -0.708720D+01 -0.183333D+01
      2  -0.427542D+01  0.380417D+01 -0.142750D+01 -0.183333D+01 -0.287858D+01
      3  -0.142266D+01 -0.142750D+01 -0.198102D+01 -0.167231D+01 -0.147365D+01
               261           262           263           264           265 
      1  -0.167231D+01 -0.121678D+01  0.172002D+01  0.599661D+00  0.181770D+01
      2  -0.147365D+01  0.172002D+01 -0.239127D+01 -0.589256D+00 -0.347942D+01
      3   0.379537D+01  0.599661D+00 -0.589256D+00 -0.498422D+00 -0.738535D+00
               266           267           268           269           270 
      1  -0.347942D+01 -0.738535D+00 -0.336615D+00  0.638243D+00 -0.261357D+00
      2   0.106833D+02  0.218473D+01  0.638243D+00 -0.155154D+01  0.631638D+00
      3   0.218473D+01  0.183788D+01 -0.261357D+00  0.631638D+00  0.554337D+00
               271           272           273           274           275 
      1  -0.164613D+02 -0.251916D+01  0.111617D+00  0.464022D+00 -0.113482D+01
      2  -0.251916D+01 -0.151738D+01 -0.163885D+00 -0.113482D+01 -0.639947D+00
      3   0.111617D+00 -0.163885D+00 -0.102332D+01  0.103773D+00  0.194488D+00
               276           277           278           279           280 
      1   0.103773D+00  0.258113D+01  0.572322D+00 -0.122892D+01 -0.240645D-01
      2   0.194488D+00  0.572322D+00  0.673810D+00 -0.788264D-01 -0.845385D+00
      3   0.232201D+00 -0.122892D+01 -0.788264D-01  0.203343D-01  0.307048D+00
               281           282           283           284           285 
      1  -0.845385D+00  0.307048D+00 -0.144303D+01 -0.652861D-01 -0.283945D-01
      2   0.240490D+01  0.262180D+00 -0.652861D-01 -0.854106D+01  0.306905D-01
      3   0.262180D+00  0.427620D+00 -0.283945D-01  0.306905D-01 -0.858699D+00
               286           287           288           289           290 
      1   0.103988D+01  0.330579D+00  0.385896D-01 -0.537726D+00  0.228097D+00
      2   0.330579D+00  0.145106D+01 -0.753536D+00  0.228097D+00  0.489493D+00
      3   0.385896D-01 -0.753536D+00 -0.107805D+00 -0.546140D+00  0.210058D+00
               291           292           293           294           295 
      1  -0.546140D+00  0.120194D+01  0.344224D+00  0.191434D+00 -0.197412D+01
      2   0.210058D+00  0.344224D+00  0.120219D+00 -0.391547D+00 -0.369269D+00
      3   0.330018D+00  0.191434D+00 -0.391547D+00  0.743178D+00 -0.726111D+00
               296           297 
      1  -0.369269D+00 -0.726111D+00
      2  -0.138685D+01 -0.282304D+00
      3  -0.282304D+00 -0.633689D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.148710D+01 -0.261641D+01  0.129200D+01 -0.708106D+01 -0.243103D+01
      2   0.398439D+01 -0.212300D+01  0.929123D+01 -0.283904D+01  0.163559D+01
      3   0.200667D+02 -0.198185D+01  0.311635D+01  0.777587D+01 -0.165119D+01
                 6             7             8             9            10 
      1  -0.228102D+01 -0.161039D+01  0.215659D+01  0.102727D+00 -0.107720D+01
      2  -0.330436D+01 -0.437755D+01 -0.116580D+01  0.238089D+01  0.187543D+00
      3   0.218841D+01  0.160912D+02  0.424024D+00  0.317110D+01 -0.341206D+02
                11            12            13            14            15 
      1   0.242376D+00  0.186598D+01  0.235950D+01  0.452956D+01 -0.876343D+01
      2   0.674703D+00 -0.431830D+01  0.548089D+01  0.302411D+00  0.691157D+00
      3  -0.760240D+00  0.630955D+00  0.122888D+02 -0.152361D+01 -0.403307D+00
                16            17            18            19            20 
      1  -0.330111D+01 -0.207829D+01 -0.531863D+01 -0.365114D+00  0.190311D+01
      2  -0.276347D+02 -0.203796D+01 -0.269102D+01 -0.520076D+01 -0.205727D+01
      3  -0.126685D+01 -0.168149D+01 -0.199827D+01 -0.136767D+02 -0.133892D+01
                21            22            23            24            25 
      1  -0.134519D+01  0.571651D+01 -0.189843D+01 -0.341078D+01  0.529137D+01
      2   0.309987D+01 -0.432557D+01 -0.196697D+01  0.106405D+01 -0.453487D+00
      3   0.237257D+01  0.725599D+01  0.150847D+01 -0.261524D+01  0.200912D+02
                26            27            28            29            30 
      1   0.169137D+01 -0.163420D+01  0.195591D+01  0.451105D+00 -0.294794D+01
      2   0.740328D+00 -0.118437D+01  0.754293D+00  0.260737D+01 -0.407931D+01
      3  -0.171066D+01 -0.480321D+01  0.323477D+02  0.209815D-01 -0.298431D+01
                31            32            33            34            35 
      1  -0.169341D+01  0.456955D+01 -0.898433D+01 -0.553200D+01 -0.127073D+01
      2   0.551031D+01 -0.292335D+00  0.230311D+01 -0.294008D+02  0.364140D+01
      3   0.107240D+02  0.546353D+01  0.765415D+00 -0.688437D+01 -0.214559D+01
                36            37            38            39            40 
      1  -0.333719D+01 -0.272895D+01 -0.109042D+01 -0.146853D+01 -0.609323D+01
      2  -0.176290D+01  0.244740D+01 -0.278891D+01  0.856253D+01 -0.373705D+01
      3   0.232112D+01 -0.161859D+02 -0.186808D+00  0.312810D+01  0.132655D+02
                41            42            43            44            45 
      1   0.124106D+01  0.999952D+00 -0.203397D+01  0.397478D+01  0.260705D+01
      2   0.178710D+01 -0.179071D+01 -0.664049D+01 -0.113721D+01  0.247907D+01
      3  -0.312614D+00  0.235488D+01 -0.128938D+02  0.467098D+01  0.133230D+01
                46            47            48            49            50 
      1   0.132574D+01  0.178277D+01  0.300759D+01  0.888272D+01  0.114954D+01
      2  -0.403375D+01 -0.223598D+01  0.385077D+01 -0.437723D+01 -0.185798D+01
      3   0.146866D+02 -0.249653D+01 -0.806715D+00  0.145727D+02  0.142164D+01
                51            52            53            54            55 
      1  -0.268350D+01  0.272868D+01  0.376479D+01  0.721190D+00 -0.181710D+01
      2   0.889892D+00 -0.759516D+00  0.151147D+01 -0.197929D+01 -0.426867D+01
      3  -0.432353D+01 -0.122047D+02 -0.171332D+01 -0.984700D+00  0.193383D+02
                56            57            58            59            60 
      1  -0.107706D+00 -0.467984D+00 -0.365946D+00 -0.575730D+01 -0.803462D+00
      2   0.242516D+00 -0.549440D+00 -0.194558D+01 -0.110972D+02  0.122423D+01
      3   0.111741D+02  0.600773D+00  0.390132D+02 -0.941909D+00  0.620773D+01
                61            62            63            64            65 
      1   0.203740D+00  0.422917D+01  0.466850D+01  0.233806D+01  0.999784D+00
      2  -0.223944D+02  0.450752D+00  0.217842D+02  0.466093D+01  0.172961D+01
      3   0.115805D+02  0.121735D+02  0.179086D+01 -0.225789D+02 -0.213724D+02
                66            67            68            69            70 
      1  -0.173930D+01 -0.598284D+00 -0.176848D+01 -0.207273D+01  0.273172D+00
      2   0.132376D+02  0.543974D+01  0.114474D+02  0.347182D+00  0.139893D+02
      3  -0.194523D+01 -0.303706D+02  0.758569D+01 -0.950971D+01 -0.124024D+02
                71            72            73            74            75 
      1   0.440825D+01  0.460803D+01  0.218950D+01  0.241093D+01  0.496230D+01
      2   0.379416D+01 -0.359959D+02 -0.106605D+01 -0.441953D+01 -0.511823D+01
      3  -0.144470D+02 -0.303988D+01  0.283699D+02  0.390576D+01  0.833308D+00
                76            77            78            79            80 
      1   0.342843D+01  0.961646D+01  0.196262D+01  0.707958D+01  0.879153D+01
      2  -0.557036D+01 -0.111937D+02 -0.393747D+01 -0.121879D+02 -0.743366D+01
      3   0.108370D+02 -0.770933D+01  0.879460D+01  0.142077D+01  0.127402D+02
                81            82            83            84            85 
      1  -0.120447D+02 -0.326309D+00 -0.264643D+00  0.213250D+00  0.363164D-04
      2   0.191000D+02 -0.664770D+01 -0.261267D+01 -0.151599D+02 -0.431686D+01
      3   0.373069D+01  0.966967D+01  0.192960D+02  0.322638D+01  0.405397D+02
                86            87            88            89            90 
      1   0.120434D+01 -0.214465D+01  0.728912D+00  0.945918D+00 -0.115165D+01
      2  -0.219198D+02 -0.115492D+01 -0.320952D+02 -0.165258D+01  0.277795D+02
      3  -0.150586D+02  0.226762D+02  0.537559D+01  0.228610D+02  0.213430D+01
                91            92            93            94            95 
      1   0.438475D+00  0.785951D+00  0.247253D+01  0.250287D+01 -0.184720D+01
      2  -0.490073D+01 -0.461626D+01 -0.633480D+00 -0.440398D+01 -0.281689D+01
      3  -0.520297D+01  0.300554D+01  0.425513D+01  0.384616D+02 -0.200636D+02
                96            97            98            99           100 
      1  -0.314013D+01  0.316912D+01  0.565406D+01 -0.138259D+01 -0.392609D+00
      2  -0.729627D+01 -0.170917D+02 -0.720121D+01  0.160431D+02  0.204729D+01
      3  -0.157771D+01  0.309072D+01  0.551705D+01  0.576715D+01  0.151209D+02
               101           102           103           104           105 
      1  -0.599216D+01 -0.586361D+01  0.477182D+00 -0.309247D-01  0.278071D+01
      2   0.380429D+01  0.482278D+01  0.204430D+01  0.183413D+01  0.139915D+02
      3  -0.148621D+02 -0.606201D+01 -0.730862D+01  0.723201D+01  0.262823D+01
               106           107           108           109           110 
      1  -0.766325D+01 -0.406743D+00 -0.400814D+01  0.420669D+01  0.300761D+01
      2  -0.530768D+01  0.115788D+02 -0.171939D+02  0.931472D+01 -0.271683D+01
      3  -0.147697D+02  0.158540D+02 -0.779047D+01 -0.726529D+00 -0.474044D+01
               111           112           113           114           115 
      1   0.418336D+01 -0.644281D+00 -0.474258D-02 -0.704346D+01  0.444558D+01
      2   0.891866D+01 -0.634907D+00  0.745324D+01 -0.108913D+02  0.516775D+01
      3   0.968373D+00 -0.620928D+01  0.114846D+02 -0.787201D+01  0.161401D+02
               116           117           118           119           120 
      1   0.530328D+01  0.113672D+02 -0.394597D+01  0.273100D+01  0.206619D+00
      2  -0.718687D+01  0.306409D+02 -0.561069D+01 -0.121016D+01  0.220647D+00
      3  -0.208503D+02  0.673736D+01 -0.213657D+01  0.774605D+01  0.443233D+01
               121           122           123           124           125 
      1   0.725200D+00 -0.545269D+01 -0.275280D+01 -0.217741D+01  0.748844D+01
      2  -0.301709D+01 -0.388145D+01 -0.193403D+01 -0.844673D+00 -0.838684D+01
      3   0.821208D+01 -0.194078D+02  0.219387D+01 -0.326887D+01  0.840483D+01
               126           127           128           129           130 
      1  -0.686262D+01 -0.185354D+01 -0.194487D+01  0.100166D+01 -0.199239D+00
      2  -0.155636D+02  0.448750D+01  0.918508D+00 -0.990816D+00  0.414384D+00
      3   0.904358D+01 -0.140489D+00 -0.102919D+01  0.858902D+00  0.105337D+01
               131           132           133           134           135 
      1  -0.136402D+01 -0.186711D+00  0.280029D+01  0.527582D+01 -0.481008D+01
      2  -0.532544D-01  0.514912D+00 -0.479134D+01 -0.351881D+00 -0.174010D+01
      3  -0.509519D+00  0.453517D+00  0.915657D+00  0.219449D+01 -0.159387D+01
               136           137           138           139           140 
      1  -0.241546D+01  0.293097D+01 -0.753462D+00  0.107087D+01 -0.119501D+01
      2  -0.814370D+01  0.166723D+01 -0.968219D+00  0.184605D+01 -0.549606D+00
      3   0.322118D+00 -0.154299D+01  0.799236D+00  0.348062D+00  0.134258D+01
               141           142           143           144           145 
      1  -0.600752D+00 -0.192902D+01  0.401559D+01 -0.259749D+01  0.174382D+01
      2   0.638862D-01 -0.413826D+01  0.519304D+00  0.986322D+00  0.435002D+01
      3  -0.423020D+00  0.567391D+00 -0.258549D+01  0.167468D+01  0.263485D+01
               146           147           148           149           150 
      1  -0.896183D+00 -0.221303D+01  0.104710D+01  0.429006D-01 -0.362169D+01
      2   0.439963D+00 -0.898176D+00  0.490909D+00 -0.228681D+00  0.577471D+00
      3  -0.428489D-01 -0.201720D+01  0.168385D+01 -0.353510D+00 -0.496884D+00
               151           152           153           154           155 
      1  -0.169472D+01  0.233060D+01  0.542413D+01  0.247894D+01  0.126118D+01
      2  -0.441834D+01 -0.343171D+00 -0.123435D+01 -0.559225D+01  0.286067D+00
      3  -0.221950D+01  0.884628D+00  0.185164D+01 -0.507495D+01 -0.863488D+00
               156           157           158           159           160 
      1   0.217847D+01 -0.138992D+01  0.185134D+00 -0.375411D+01  0.237276D+01
      2  -0.252595D+00  0.128960D+01  0.133811D+00 -0.938178D+00 -0.298884D+01
      3  -0.225437D+01  0.449937D+01  0.567647D+00  0.841405D+00 -0.296442D+01
               161           162           163           164           165 
      1   0.147710D+01  0.403096D+01 -0.129392D+01 -0.647230D+00  0.109536D+01
      2  -0.989512D-01  0.198402D+01 -0.527739D+01  0.713353D+00  0.564229D+01
      3  -0.124103D+01 -0.197070D+01 -0.176664D+01 -0.356285D+01  0.554658D+00
               166           167           168           169           170 
      1   0.142267D+00 -0.312890D+00 -0.918093D+00  0.222008D+01  0.227334D+01
      2   0.535468D+00 -0.113857D+01  0.989267D+00  0.248028D+01 -0.407466D+01
      3  -0.337917D+01  0.299573D+00  0.173447D+01  0.308559D+01  0.406642D+01
               171           172           173           174           175 
      1  -0.642040D+01  0.949836D+00 -0.108264D+01  0.137652D+01 -0.164655D+01
      2  -0.208390D+02  0.506019D+01 -0.146881D+01  0.317442D+01 -0.288127D+01
      3   0.355270D+00  0.112744D+01 -0.770606D+01 -0.281710D+00 -0.459453D+01
               176           177           178           179           180 
      1   0.361930D+01 -0.346537D+01  0.153894D+01 -0.128982D+01  0.116322D+01
      2   0.582901D+01 -0.355471D+01  0.360081D+01 -0.418580D+01  0.712056D+00
      3   0.184177D+02 -0.191605D+01 -0.378743D+01 -0.700070D+01  0.194328D+01
               181           182           183           184           185 
      1  -0.263379D+01 -0.157019D+01  0.836729D+00 -0.107642D+01 -0.332238D+00
      2   0.788206D+01  0.826442D+00 -0.453816D+01  0.223387D+01  0.339864D+01
      3   0.283076D+01  0.263997D+01  0.327218D+00  0.537542D+01 -0.757007D+00
               186           187           188           189           190 
      1  -0.671618D+00  0.153967D+01  0.354881D+01 -0.410275D+01  0.446262D+00
      2  -0.799996D+00 -0.885965D+01 -0.110584D+01  0.307962D+02 -0.155211D+01
      3  -0.252320D+01  0.758135D-01 -0.370764D+01 -0.119264D+00 -0.273226D+02
               191           192           193           194           195 
      1   0.620411D+00  0.224486D+01  0.731448D-01 -0.848294D+00 -0.117507D+01
      2   0.427272D+00 -0.153453D+00  0.355332D+00  0.819177D+00  0.250740D+00
      3   0.657823D+01  0.794514D+00  0.649411D+01 -0.389315D+01 -0.120845D+01
               196           197           198           199           200 
      1   0.232929D+01  0.542226D+00  0.669986D+00  0.226457D+01 -0.494575D-01
      2  -0.344418D+01  0.127199D+01 -0.103777D+01 -0.332442D+01 -0.115113D+01
      3   0.112781D+01 -0.234223D+01 -0.294769D+01 -0.263526D+01 -0.325872D+01
               201           202           203           204           205 
      1  -0.298952D+01  0.240240D+00  0.114044D+01 -0.228584D+01 -0.308284D+01
      2   0.509368D+01 -0.191217D+00 -0.196726D+01  0.116695D+01  0.846603D+00
      3  -0.296475D+00 -0.379566D+00 -0.178784D+01  0.194659D+01 -0.208103D+01
               206           207           208           209           210 
      1  -0.278577D+00  0.152969D+02 -0.278839D+01 -0.235180D+01 -0.395562D+01
      2   0.638866D+01 -0.227784D+02  0.364721D+01  0.332586D+01  0.476581D+01
      3   0.714179D+01 -0.531156D+01 -0.507249D+01 -0.974708D+01 -0.868584D+00
               211           212           213           214           215 
      1  -0.361830D+01 -0.572418D+01 -0.597957D+01 -0.367191D+01 -0.359766D+01
      2   0.331385D+01  0.765412D+01  0.598885D+01  0.371792D+01  0.713945D+01
      3  -0.353569D+01 -0.191605D+02 -0.498810D+01 -0.119677D+01 -0.106919D+02
               216           217           218           219           220 
      1  -0.354392D+01  0.266152D+00 -0.438865D+00 -0.174498D-01  0.150624D+00
      2   0.430037D+01 -0.905878D+01  0.241402D+00  0.110824D+02 -0.134721D+00
      3  -0.473257D+01 -0.600668D+00 -0.437119D+01 -0.348993D+00 -0.503263D+01
               221           222           223           224           225 
      1   0.282162D-01 -0.872788D+00 -0.664507D+00  0.265962D+01  0.932456D+00
      2  -0.237890D+01  0.746575D+00  0.164579D+02 -0.682580D-01 -0.366443D+02
      3   0.100514D+01  0.203825D+01 -0.817708D+00  0.615784D+01 -0.209394D+00
               226           227           228           229           230 
      1  -0.716100D+00  0.727410D+00  0.490134D+00  0.843190D+00 -0.251451D+01
      2   0.424384D+01 -0.249636D+01  0.527604D+01 -0.417406D+01  0.108455D+02
      3   0.926566D+01 -0.112207D+02  0.299605D+01 -0.158395D+02  0.342499D+02
               231           232           233           234           235 
      1  -0.177165D+01 -0.274965D+00  0.184146D+01  0.231208D+00  0.289251D+00
      2  -0.969238D+01  0.711692D+01 -0.724495D+01  0.562504D+01  0.834224D+01
      3  -0.113040D+02  0.471819D+01 -0.130980D+02  0.705043D+01 -0.125637D+02
               236           237           238           239           240 
      1   0.863915D+00 -0.963001D+00  0.256918D+00  0.119480D+01 -0.164451D+01
      2   0.458173D+01  0.950362D+01  0.733121D+01  0.967507D+01  0.101043D+02
      3  -0.133687D+02 -0.523052D+01 -0.179485D+02 -0.204482D+02 -0.104187D+02
               241           242           243           244           245 
      1  -0.681925D+00  0.152917D+01 -0.743961D+00  0.370094D+00 -0.336786D+00
      2   0.119813D+02  0.735966D+01  0.875471D+01 -0.592963D+01  0.407648D-02
      3  -0.771463D+01 -0.124679D+02 -0.746899D+01 -0.293877D+01 -0.191033D+01
               246           247           248           249           250 
      1  -0.904572D+00 -0.254371D-01 -0.720097D-01 -0.112669D+01 -0.126181D+01
      2   0.402897D+01  0.914219D-01 -0.270429D+01  0.450437D+01  0.137102D+01
      3  -0.463150D+00 -0.969602D+00 -0.116446D+01  0.291979D+01 -0.913106D+00
               251           252           253           254           255 
      1   0.270954D+01  0.338880D+01 -0.231044D+01  0.100973D+01 -0.255896D+01
      2   0.403396D+01 -0.193768D+02  0.159705D+02  0.451142D+01  0.697201D+01
      3   0.382921D+01 -0.252182D+01 -0.171932D+02 -0.178871D+02 -0.571536D+00
               256           257           258           259           260 
      1  -0.166647D+01 -0.638459D+01 -0.386010D+01 -0.972110D+00  0.119472D+01
      2   0.587222D+01  0.527673D+01  0.674308D+01  0.533432D+01  0.558394D+01
      3  -0.873886D+01  0.219283D+02 -0.407042D+01  0.634765D+00 -0.766496D+01
               261           262           263           264           265 
      1   0.939268D+01  0.931338D+00 -0.145749D+01  0.861485D+00 -0.300313D+01
      2  -0.190654D+02 -0.869353D+00  0.656255D+00  0.139717D+01  0.565780D+00
      3  -0.482415D+01  0.356471D+01 -0.562474D+01 -0.203386D+01 -0.638463D+01
               266           267           268           269           270 
      1   0.931038D+01 -0.236759D+01  0.427896D+00 -0.942692D+00  0.109813D+01
      2  -0.463899D+01 -0.601041D+01  0.389122D+00 -0.197315D+01 -0.122573D+01
      3   0.336347D+02  0.703969D+01  0.192011D+01 -0.567271D+01  0.185939D+01
               271           272           273           274           275 
      1   0.122552D+01  0.568655D+00 -0.237954D+01  0.913810D+00  0.718814D+00
      2  -0.808826D+01 -0.279801D+00  0.809646D+01 -0.861348D+00 -0.138754D+01
      3   0.154899D+02 -0.593324D+01 -0.111005D+01 -0.388524D+01 -0.955406D+00
               276           277           278           279           280 
      1  -0.212739D+00 -0.217975D+01  0.529343D+00 -0.145490D+00  0.151070D+01
      2  -0.397014D+00  0.469952D+01  0.280223D-01 -0.115629D+00 -0.107120D+01
      3   0.832243D+00 -0.168489D+01  0.198383D+01  0.174216D+01 -0.530883D+01
               281           282           283           284           285 
      1  -0.829454D+00  0.174264D+01 -0.467257D+00  0.520957D+01 -0.422759D+01
      2  -0.112937D+01 -0.133994D+01 -0.843107D+00  0.346070D-01  0.289811D+01
      3   0.937972D+01 -0.930674D-01  0.562570D+01 -0.316026D+02  0.697105D+00
               286           287           288           289           290 
      1   0.688354D+00 -0.108914D+01  0.445508D+00 -0.175309D+01 -0.620589D+00
      2  -0.161084D+01  0.248889D+01  0.520097D+00  0.426161D+01 -0.782707D-01
      3  -0.121740D+01  0.468821D+01 -0.283632D+01  0.142946D+01  0.109757D+01
               291           292           293           294           295 
      1   0.536205D+00 -0.267912D+00 -0.209524D+01  0.102684D+01 -0.124576D+00
      2  -0.198426D+01  0.143806D+01  0.194689D+01 -0.335785D+01 -0.206984D+01
      3   0.119840D+01  0.906576D+00  0.141058D+00 -0.165312D+01  0.145217D+01
               296           297 
      1   0.358273D+01 -0.117704D+02
      2   0.136285D+00  0.255330D+02
      3  -0.457108D+01  0.647565D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.387787D+01 -0.745200D+01  0.209997D+02  0.200517D+02 -0.296470D+01
      2   0.796635D+01  0.326782D+01 -0.801154D+01 -0.558063D+01  0.419723D+01
      3  -0.408848D+01  0.418418D+01 -0.129882D+02 -0.144711D+02 -0.123253D+01
      4   0.412369D-01  0.299896D+01 -0.196715D+00  0.928294D+01  0.481492D+01
      5   0.184589D+02  0.104559D+01 -0.780233D+01 -0.497892D+01 -0.232816D+01
      6   0.123432D+00 -0.327419D+01 -0.435421D+00 -0.227365D+00  0.376176D+01
                 6             7             8             9            10 
      1  -0.168292D+02 -0.279871D+02 -0.982493D+01  0.354353D+01  0.569630D+02
      2   0.124397D+01  0.485668D+01  0.133200D+01  0.477481D+01 -0.229856D+02
      3   0.155853D+02  0.231305D+02  0.849293D+01 -0.831834D+01 -0.339773D+02
      4  -0.387359D+01  0.446169D+01 -0.279895D+01 -0.499589D+01 -0.136946D+02
      5  -0.360742D+01  0.823522D+01 -0.438701D+01  0.623007D+01 -0.556727D+01
      6   0.123354D+02 -0.687056D+01  0.634377D+01  0.150818D+02  0.170566D+01
                11            12            13            14            15 
      1   0.784244D+01 -0.435356D+00  0.974324D+01 -0.594852D+00  0.546257D+01
      2  -0.696653D+01  0.315982D+01 -0.105784D+02  0.632601D+01 -0.108296D+01
      3  -0.875916D+00 -0.272446D+01  0.835173D+00 -0.573116D+01 -0.437961D+01
      4   0.100801D+01 -0.401179D+01  0.182197D+02 -0.588252D+01 -0.933755D+00
      5  -0.463715D+01  0.705844D+01  0.101021D+02 -0.839142D+00 -0.198966D+01
      6   0.275090D+00 -0.686202D+01 -0.513761D+01  0.406353D+01  0.902317D+01
                16            17            18            19            20 
      1  -0.725896D+01  0.566206D+01 -0.161586D+02 -0.351070D+00  0.455530D+01
      2  -0.735293D+00  0.551441D+01  0.636693D+00 -0.233096D+01 -0.207503D+01
      3   0.799425D+01 -0.111765D+02  0.155219D+02  0.268203D+01 -0.248027D+01
      4   0.136281D+02  0.170298D+01 -0.182324D+01  0.248244D+01 -0.430669D+00
      5  -0.122439D+02 -0.177299D+01 -0.523905D+01 -0.157463D+02  0.291983D+01
      6  -0.475481D+01  0.547237D+00 -0.495196D+01  0.313453D+01  0.504739D+01
                21            22            23            24            25 
      1  -0.263700D+02 -0.115839D+02 -0.517890D+01 -0.589390D+01  0.282345D+02
      2   0.678943D+01 -0.122457D+01  0.619352D+01 -0.184121D+00 -0.202172D+01
      3   0.195806D+02  0.128084D+02 -0.101462D+01  0.607802D+01 -0.262128D+02
      4   0.289176D+01  0.290963D+01 -0.217945D+01  0.379063D+01  0.524470D+01
      5  -0.244283D+01  0.132015D+01  0.209079D+01  0.582279D+01  0.114564D+02
      6   0.625219D+01  0.208151D+01  0.237549D+01  0.780491D+01  0.109113D+02
                26            27            28            29            30 
      1  -0.834138D+01  0.720109D+01  0.234081D+02 -0.181942D+01  0.177753D+01
      2   0.106382D+01 -0.203901D+01 -0.503701D+01  0.614774D+01  0.973810D+00
      3   0.727756D+01 -0.516208D+01 -0.183711D+02 -0.432832D+01 -0.275134D+01
      4   0.494970D+01  0.732547D+01  0.255779D+02  0.350362D+01 -0.211810D+01
      5   0.534922D+01 -0.402162D+01  0.311390D+01 -0.151161D+01  0.748986D+01
      6   0.269349D+01  0.106084D+02  0.501468D+01 -0.121638D+01  0.500236D+01
                31            32            33            34            35 
      1   0.941884D+00 -0.147437D+01  0.711860D+01 -0.810207D+01  0.953256D+01
      2   0.589654D+01  0.506376D+01 -0.205363D+01  0.200466D+01  0.339178D+01
      3  -0.683842D+01 -0.358938D+01 -0.506497D+01  0.609741D+01 -0.129243D+02
      4   0.164108D+02 -0.257304D+00  0.181910D+01  0.112406D+02  0.582821D+01
      5   0.112694D+02  0.158169D+00  0.180389D+01 -0.157439D+02  0.275111D+01
      6  -0.124779D+01  0.391432D+01  0.630472D+01 -0.130531D+01  0.656792D+00
                36            37            38            39            40 
      1  -0.191486D+02  0.850323D+01 -0.124233D+02  0.235765D+02  0.541522D+01
      2   0.236596D+01  0.105370D+00  0.122024D+02 -0.124099D+02  0.396996D+01
      3   0.167827D+02 -0.860860D+01  0.220909D+00 -0.111667D+02 -0.938518D+01
      4   0.468429D+00 -0.911139D+01 -0.222183D+01  0.462418D+01  0.177580D+02
      5  -0.334629D+01  0.116673D+02  0.225349D+01 -0.964884D+01 -0.144023D+01
      6  -0.762971D+01 -0.896610D+00 -0.619767D+01  0.534325D+01  0.964649D-01
                41            42            43            44            45 
      1  -0.106154D+02 -0.682798D+01 -0.224320D+02 -0.430295D+01  0.830508D+01
      2   0.171325D+02 -0.109128D+02  0.217787D+01 -0.407149D+01 -0.819254D+00
      3  -0.651708D+01  0.177408D+02  0.202541D+02  0.837444D+01 -0.748582D+01
      4   0.717916D+01 -0.288375D+01 -0.284888D+01 -0.404410D+01 -0.684931D+01
      5  -0.147632D+01 -0.261573D+01  0.667360D+01 -0.635262D+01  0.875042D+01
      6  -0.660059D+01  0.611249D+01 -0.112711D+02  0.155179D+01  0.933152D+01
                46            47            48            49            50 
      1  -0.638144D+01  0.100215D+02 -0.259565D+02 -0.747674D+01 -0.169283D+02
      2   0.256147D+01 -0.988052D+01  0.847375D+01 -0.470089D+01  0.232637D+02
      3   0.381996D+01 -0.140974D+00  0.174828D+02  0.121776D+02 -0.633540D+01
      4   0.914494D+01  0.124354D+01  0.493613D+01  0.553696D+01 -0.634234D+01
      5  -0.125780D+02  0.567191D+01 -0.366648D+01  0.637186D+01  0.178559D+01
      6   0.474857D+01  0.585898D+01 -0.452993D+01 -0.798528D+00 -0.642015D+01
                51            52            53            54            55 
      1   0.350550D+01  0.390972D+02 -0.331241D+01  0.791888D+01 -0.460436D+02
      2  -0.107851D+02 -0.107077D+02 -0.125927D+01 -0.477699D+01  0.152805D+02
      3   0.727964D+01 -0.283895D+02  0.457167D+01 -0.314189D+01  0.307631D+02
      4   0.897931D+00 -0.347367D+01 -0.446501D+00  0.760881D+01  0.452529D+01
      5   0.619740D+01  0.255793D+01  0.682750D+01 -0.641606D+01 -0.165941D+01
      6   0.401458D+01  0.119677D+02 -0.254192D+01  0.782400D+01  0.188667D+01
                56            57            58            59            60 
      1  -0.835093D+01 -0.295931D+01 -0.469601D+02 -0.317481D+02 -0.458985D+01
      2   0.593588D+01 -0.182299D+01  0.322101D+02  0.403175D+01  0.497742D+01
      3   0.241505D+01  0.478230D+01  0.147500D+02  0.277164D+02 -0.387569D+00
      4  -0.268872D+02 -0.241152D+00 -0.552578D+02  0.285266D+02 -0.125400D+02
      5  -0.444274D+00 -0.110846D+02 -0.456161D+01 -0.128392D+02 -0.832286D-01
      6   0.621465D+00  0.136494D+01 -0.135130D+01  0.432267D+01 -0.110413D+00
                61            62            63            64            65 
      1  -0.346304D+02 -0.806701D+01 -0.731999D+01 -0.565927D+02  0.159512D+02
      2   0.570851D+01  0.686054D+01  0.124479D+02  0.361932D+02 -0.258208D+01
      3   0.289219D+02  0.120647D+01 -0.512795D+01  0.203994D+02 -0.133691D+02
      4  -0.605233D+01 -0.234446D+02  0.744120D+01  0.177631D+02  0.312953D+02
      5  -0.254769D+02  0.478733D+01  0.411102D+02 -0.158428D+01  0.348976D+01
      6   0.392244D+01 -0.201131D+01 -0.691339D+01  0.115848D+01 -0.279974D+01
                66            67            68            69            70 
      1  -0.201935D+01  0.615218D+02  0.547231D+02 -0.644574D+00  0.249691D+02
      2  -0.162385D+01 -0.267279D+02 -0.298940D+02  0.253953D+01 -0.908219D+01
      3   0.364319D+01 -0.347939D+02 -0.248291D+02 -0.189496D+01 -0.158870D+02
      4   0.308145D+01  0.513444D+02 -0.168893D+02  0.173091D+02  0.697553D+01
      5   0.187657D+02  0.786025D+01  0.194992D+02  0.308410D+01  0.390638D+02
      6   0.357801D+01  0.359926D+01  0.548726D+01 -0.116322D+01  0.334800D+01
                71            72            73            74            75 
      1   0.181641D+01  0.359180D+02  0.556363D+02 -0.899112D+01 -0.749785D+01
      2   0.415417D+01 -0.103579D+02 -0.385838D+02 -0.723113D+01 -0.479296D+00
      3  -0.597058D+01 -0.255602D+02 -0.170525D+02  0.162222D+02  0.797715D+01
      4   0.229974D+02  0.574396D+01 -0.648153D+01 -0.320333D+02 -0.880483D+01
      5   0.479810D+01 -0.611457D+02 -0.720671D+01 -0.663390D+01 -0.131097D+02
      6   0.565151D+01 -0.719180D+01 -0.759377D+01 -0.261576D+01 -0.977493D+01
                76            77            78            79            80 
      1  -0.106356D+02 -0.342992D+02  0.355866D+01 -0.141118D+02  0.245841D+01
      2  -0.785032D+01  0.136602D+02 -0.124832D+02 -0.127857D+01 -0.155923D+02
      3   0.184860D+02  0.206391D+02  0.892450D+01  0.153904D+02  0.131339D+02
      4  -0.383228D+02 -0.129191D+02 -0.218881D+02 -0.881966D+01 -0.325532D+02
      5  -0.679230D+01 -0.213456D+02 -0.796585D+01 -0.218435D+02 -0.163108D+02
      6  -0.576976D+01 -0.178932D+02 -0.422796D+01 -0.115243D+02 -0.972482D+01
                81            82            83            84            85 
      1  -0.859644D+01  0.645125D+02 -0.198338D+02 -0.614851D+01 -0.354567D+02
      2   0.828814D+01 -0.347302D+02  0.945560D+01  0.142269D+01  0.166504D+02
      3   0.308304D+00 -0.297824D+02  0.103782D+02  0.472582D+01  0.188063D+02
      4  -0.213036D+02 -0.231799D+02 -0.404779D+02 -0.665012D+01 -0.658150D+02
      5   0.421791D+02 -0.100381D+02 -0.716046D+01 -0.327061D+02 -0.115657D+02
      6   0.210638D+02 -0.182867D+01 -0.495731D+01 -0.207572D+01 -0.989077D+01
                86            87            88            89            90 
      1  -0.582749D+02 -0.689873D+01 -0.190693D+02 -0.672723D+01 -0.467628D+02
      2   0.286076D+02  0.242606D+01  0.537090D+01  0.227383D+01  0.262106D+02
      3   0.296673D+02  0.447267D+01  0.136984D+02  0.445341D+01  0.205522D+02
      4   0.250297D+02 -0.429536D+02 -0.110892D+02 -0.418996D+02 -0.534815D+01
      5  -0.462044D+02 -0.451927D+01 -0.567062D+02 -0.418903D+01  0.524078D+02
      6   0.244738D+00 -0.501655D+01 -0.388163D+01 -0.570295D+01  0.148346D+01
                91            92            93            94            95 
      1   0.818704D+01 -0.289683D+01 -0.974461D+00 -0.112996D+02 -0.196000D+02
      2  -0.945252D+01 -0.287399D+01 -0.125771D+01  0.672096D+01  0.618832D+01
      3   0.126549D+01  0.577082D+01  0.223217D+01  0.457863D+01  0.134117D+02
      4  -0.207851D+02 -0.211355D+02 -0.991587D+01 -0.501728D+02  0.206163D+02
      5  -0.739722D+01 -0.907893D+01 -0.102494D+02 -0.159851D+02 -0.149895D+01
      6  -0.664375D+01 -0.254624D+01 -0.497650D+01 -0.282116D+01 -0.684009D+01
                96            97            98            99           100 
      1  -0.724214D+01 -0.178828D+02 -0.100723D+02 -0.219120D+01 -0.520737D+01
      2   0.374797D+00 -0.815405D-02 -0.187089D+01  0.804412D+01  0.819237D+00
      3   0.686735D+01  0.178910D+02  0.119431D+02 -0.585292D+01  0.438814D+01
      4  -0.127303D+01 -0.231653D+02 -0.169742D+02 -0.178786D+02  0.146409D+02
      5  -0.143565D+02 -0.160437D+02 -0.169010D+02  0.316134D+02 -0.173290D+02
      6  -0.412486D+01 -0.921225D+01 -0.283963D+01  0.910466D+01  0.564587D+01
               101           102           103           104           105 
      1   0.635426D+01 -0.848345D+01  0.220714D+02  0.373576D+01  0.101756D+02
      2  -0.596727D+00  0.574886D+01 -0.177323D+02  0.626815D+01 -0.292325D+01
      3  -0.575753D+01  0.273458D+01 -0.433909D+01 -0.100039D+02 -0.725237D+01
      4  -0.824836D+00  0.844054D+01  0.314030D+01 -0.260685D+02 -0.364943D+01
      5   0.779528D+01 -0.351608D+01  0.834093D+01 -0.335692D+01  0.259956D+02
      6  -0.567148D+01  0.629780D+01 -0.120143D+01 -0.113912D+01 -0.156484D+02
               106           107           108           109           110 
      1  -0.285130D+02  0.124213D+02 -0.618380D+01  0.457792D+02 -0.140608D+02
      2   0.100502D+02  0.467735D+01  0.368651D+01 -0.219181D+02  0.461434D+01
      3   0.184628D+02 -0.170986D+02  0.249729D+01 -0.238611D+02  0.944649D+01
      4   0.265665D+02 -0.227674D+02  0.240758D+02 -0.265408D+02  0.204553D+02
      5  -0.213669D+02  0.220857D+02 -0.233016D+02  0.327203D+02 -0.702009D+01
      6   0.124008D+02 -0.183283D+02  0.529907D+01 -0.115418D+02  0.429197D+01
               111           112           113           114           115 
      1   0.249913D+02 -0.181153D+02  0.454709D+01 -0.193538D+01  0.462355D+02
      2  -0.148334D+02  0.390778D+01  0.635085D+01 -0.110568D+01 -0.219294D+02
      3  -0.101579D+02  0.142075D+02 -0.108979D+02  0.304106D+01 -0.243061D+02
      4  -0.110315D+02  0.256696D+02 -0.215059D+02  0.181928D+02 -0.289466D+02
      5   0.227507D+02 -0.127578D+02  0.176045D+02 -0.204044D+02  0.376050D+02
      6  -0.759040D+01  0.604361D+01 -0.119370D+02  0.176258D+02 -0.115767D+02
               116           117           118           119           120 
      1  -0.612989D+01  0.116264D+02 -0.403733D-01 -0.101389D+02 -0.131496D+02
      2  -0.381145D+01 -0.153445D+02 -0.352549D+01  0.131948D+02  0.852197D+01
      3   0.994134D+01  0.371817D+01  0.356586D+01 -0.305584D+01  0.462765D+01
      4   0.352780D+02 -0.204464D+02  0.102842D+01 -0.874657D+01  0.284496D+01
      5  -0.189218D+02  0.598102D+02 -0.859241D+01 -0.183465D+01  0.600765D+01
      6   0.168632D+02 -0.273003D+02  0.345031D+01  0.563853D+01  0.104554D+01
               121           122           123           124           125 
      1  -0.632827D+01 -0.544204D+01 -0.581175D+01 -0.147056D+02 -0.757111D+01
      2   0.157263D+02 -0.196719D+02  0.140046D+01  0.821430D+01  0.608426D+01
      3  -0.939802D+01  0.251140D+02  0.441129D+01  0.649130D+01  0.148685D+01
      4  -0.137411D+02  0.525752D+02 -0.117154D+01  0.132391D+02 -0.157300D+02
      5   0.861678D+00 -0.412403D+00 -0.491185D+01  0.184060D+02 -0.188253D+02
      6   0.327693D+01  0.536689D+00  0.105358D+02 -0.750912D+01  0.206917D+02
               126           127           128           129           130 
      1  -0.894181D+01 -0.109350D+01 -0.971501D-01  0.359982D+01 -0.294728D+01
      2  -0.695834D+01 -0.533531D+01 -0.133615D+01  0.563067D+01 -0.418073D+00
      3   0.159002D+02  0.642881D+01  0.143330D+01 -0.923049D+01  0.336535D+01
      4  -0.166996D+02  0.113089D+01  0.256256D+01 -0.916656D+00  0.124731D+01
      5  -0.346961D+02 -0.937200D+01 -0.265286D+01  0.123389D+02 -0.276509D+01
      6   0.235864D+02  0.167868D+00 -0.152302D+01 -0.542068D+00 -0.129164D+01
               131           132           133           134           135 
      1  -0.366404D+01  0.835337D+01  0.420490D+01  0.527632D+01 -0.250111D+02
      2  -0.385370D+00  0.326560D+01  0.688175D+01  0.200522D+01 -0.147373D+02
      3   0.404942D+01 -0.116190D+02 -0.110866D+02 -0.728154D+01  0.397485D+02
      4   0.117679D+01 -0.148485D+01 -0.185887D+01 -0.307880D+01  0.208275D+01
      5  -0.275639D+01  0.433316D+01  0.120814D+02  0.410676D+01 -0.192999D+02
      6  -0.293888D+01  0.218386D+01  0.990487D+00  0.543805D+01 -0.310945D+01
               136           137           138           139           140 
      1   0.334762D+01  0.498087D-01 -0.157832D+01  0.317157D+00 -0.205500D+01
      2  -0.568963D+01  0.105457D+01 -0.421800D+01  0.213067D+01 -0.237973D+00
      3   0.234200D+01 -0.110438D+01  0.579633D+01 -0.244783D+01  0.229298D+01
      4  -0.248881D+01  0.373424D+01 -0.135595D+01  0.251293D+01 -0.299426D+01
      5   0.114864D+02 -0.310518D+01  0.102379D+02 -0.458825D+01  0.335042D+01
      6  -0.571976D+00  0.164594D+01 -0.989014D+00  0.949349D+00 -0.278468D+01
               141           142           143           144           145 
      1   0.508019D+01 -0.438816D+01  0.422574D+01 -0.129637D+02 -0.290017D+01
      2   0.225717D+01 -0.529133D+01  0.103914D+01 -0.851406D+01 -0.304639D+01
      3  -0.733736D+01  0.967948D+01 -0.526488D+01  0.214778D+02  0.594657D+01
      4   0.151098D+01 -0.216959D+01  0.311805D+01 -0.262368D+01  0.551322D+01
      5  -0.597435D+01  0.125769D+02 -0.451486D+01  0.163432D+02 -0.973973D+01
      6   0.226960D+01 -0.193339D+01  0.473200D+01 -0.383211D+01 -0.594579D+01
               146           147           148           149           150 
      1  -0.175756D+01  0.566202D+01 -0.308348D+01 -0.498035D+01  0.949711D+01
      2   0.846871D-01  0.317673D+01 -0.515392D+00  0.848822D+00  0.693323D+00
      3   0.167287D+01 -0.883875D+01  0.359887D+01  0.413153D+01 -0.101904D+02
      4   0.381996D+01 -0.564045D+01  0.235692D+01  0.178340D+01 -0.300291D+01
      5  -0.371287D+01  0.126770D+02 -0.343838D+01 -0.277703D+01  0.439273D+01
      6  -0.346007D+01  0.643142D+01 -0.308981D+01 -0.541841D+01  0.906354D+01
               151           152           153           154           155 
      1   0.841039D+01  0.113852D+02 -0.310439D+02  0.238394D+01  0.252373D+01
      2   0.220541D+01 -0.262633D+01 -0.598347D+01 -0.315307D+01 -0.205839D+01
      3  -0.106158D+02 -0.875891D+01  0.370274D+02  0.769127D+00 -0.465345D+00
      4  -0.594932D+01 -0.530967D+01  0.838308D+01 -0.110879D+02  0.786155D+01
      5   0.114087D+02  0.567174D+01 -0.188154D+02  0.159337D+02 -0.637444D+01
      6   0.884234D+01  0.130125D+02 -0.242558D+02 -0.927029D+01  0.594130D+01
               156           157           158           159           160 
      1  -0.213583D+01  0.799752D+00 -0.396097D+01  0.564343D+01 -0.479684D+01
      2  -0.214220D+01  0.976111D+00  0.183183D+01  0.158913D+00 -0.242097D+01
      3   0.427804D+01 -0.177586D+01  0.212914D+01 -0.580234D+01  0.721781D+01
      4  -0.862612D+01  0.497559D+01 -0.556112D+01  0.613875D+01 -0.906647D+01
      5   0.144191D+02 -0.749053D+01  0.523610D+01 -0.850849D+01  0.156039D+02
      6  -0.914777D+01  0.578598D+01 -0.621495D+01  0.871933D+01 -0.108767D+02
               161           162           163           164           165 
      1   0.843421D+01 -0.163784D+02  0.817637D+01  0.267724D+00 -0.736556D+01
      2  -0.342698D+01 -0.261483D+01 -0.799555D+01 -0.488630D+00  0.653996D+01
      3  -0.500723D+01  0.189933D+02 -0.180821D+00  0.220906D+00  0.825598D+00
      4   0.751569D+01 -0.110184D+02 -0.189923D+01  0.716244D+01  0.414700D+01
      5  -0.810781D+01  0.207923D+02 -0.138718D+02  0.280731D+01  0.152476D+02
      6   0.119496D+02 -0.188481D+02  0.208971D+01 -0.143509D+01 -0.205818D+01
               166           167           168           169           170 
      1   0.901753D+01  0.162801D+01 -0.203495D+01 -0.146206D+02 -0.302178D+01
      2  -0.568913D+01 -0.483310D+00  0.149066D+01  0.137622D+02  0.340637D+00
      3  -0.332840D+01 -0.114470D+01  0.544291D+00  0.858472D+00  0.268114D+01
      4   0.737328D+01 -0.394565D+01 -0.445752D+01  0.616901D+01 -0.849419D+01
      5  -0.990217D+00 -0.477385D+01  0.202879D+01  0.229483D+02 -0.867746D+01
      6  -0.161476D+01  0.137323D+01  0.529521D+01 -0.542244D+01  0.646035D+01
               171           172           173           174           175 
      1  -0.550663D+01  0.229574D+02 -0.929550D+01  0.381366D+01 -0.152414D+02
      2  -0.139504D+02 -0.454614D+01 -0.243261D+00 -0.905579D+00 -0.323284D+01
      3   0.194571D+02 -0.184112D+02  0.953876D+01 -0.290808D+01  0.184742D+02
      4  -0.114893D+02 -0.226575D+02  0.254215D+02 -0.153001D+01  0.377470D+02
      5  -0.455777D+02  0.449780D+01 -0.359923D+00  0.490325D+01 -0.105484D+01
      6   0.122396D+02 -0.104685D+01 -0.292992D+00 -0.105685D+01  0.575574D+00
               176           177           178           179           180 
      1   0.537133D+00  0.381994D+00  0.211432D+02  0.712191D+00  0.130705D+01
      2   0.216952D+02 -0.261326D+01 -0.634922D+01 -0.434399D+01 -0.810191D-01
      3  -0.222323D+02  0.223126D+01 -0.147940D+02  0.363180D+01 -0.122603D+01
      4  -0.533792D+02  0.614527D+01 -0.103492D+02  0.166889D+02 -0.906651D+01
      5   0.557441D+01 -0.560937D+01  0.889360D+01 -0.794560D+01  0.225156D+01
      6  -0.110309D+01  0.456357D+01 -0.358941D+01  0.565595D+01 -0.213866D+01
               181           182           183           184           185 
      1  -0.124423D+01 -0.297913D+01  0.107431D+02 -0.966551D+01 -0.115763D+02
      2  -0.310528D+01  0.504151D+00 -0.292983D+01  0.431249D+01  0.545990D+01
      3   0.434951D+01  0.247498D+01 -0.781331D+01  0.535301D+01  0.611643D+01
      4  -0.478297D+01 -0.405727D+01  0.125794D+00 -0.281568D+01  0.117247D+01
      5   0.704757D+01 -0.223503D+00 -0.208713D+01  0.107346D+01  0.407116D+01
      6   0.125381D+01  0.273271D+00 -0.158714D+01 -0.562290D+00 -0.441622D-01
               186           187           188           189           190 
      1   0.160440D-01  0.211854D+02 -0.538358D+00 -0.239216D+02 -0.563452D+02
      2   0.735908D+00 -0.942611D+01  0.134675D+01 -0.872281D+01  0.324915D+02
      3  -0.751952D+00 -0.117593D+02 -0.808395D+00  0.326444D+02  0.238537D+02
      4   0.359098D+01  0.167627D+01  0.641081D+01 -0.211369D+01 -0.165740D+02
      5  -0.889587D+00 -0.878319D+00 -0.669034D+00  0.530563D+02  0.342060D+01
      6   0.711130D+01 -0.253993D+00  0.323153D+01  0.674323D+01  0.273396D+01
               191           192           193           194           195 
      1   0.155452D+02  0.264792D+01  0.679554D+01 -0.958466D+01 -0.866800D+00
      2  -0.154141D+02 -0.126214D+01 -0.751850D+01  0.948399D+01  0.171749D+01
      3  -0.131061D+00 -0.138578D+01  0.722953D+00  0.100664D+00 -0.850689D+00
      4  -0.459458D+01  0.252502D+01  0.299159D+01 -0.201185D+00  0.210896D+01
      5   0.124125D+01 -0.168236D+01 -0.672685D-01  0.250718D+01  0.892597D+00
      6   0.220926D+00 -0.336434D+01  0.680331D+00  0.126484D+01  0.216942D+01
               196           197           198           199           200 
      1   0.450798D+01 -0.287954D+01 -0.543148D+01  0.190685D+01  0.213109D+01
      2  -0.163948D+01  0.343510D+01  0.225869D+01 -0.151037D+01  0.127064D+01
      3  -0.286849D+01 -0.555557D+00  0.317279D+01 -0.396482D+00 -0.340174D+01
      4   0.105769D+01  0.385849D+01  0.225712D+01  0.611993D+01  0.953055D+01
      5   0.147882D+01  0.324889D+01 -0.333927D+01 -0.101625D+02 -0.353009D+01
      6  -0.208863D+01  0.387285D+01 -0.130035D+01 -0.376984D+01 -0.191695D+01
               201           202           203           204           205 
      1  -0.689994D+01 -0.778075D+00 -0.751725D+00  0.275579D+01 -0.106023D+02
      2   0.536419D+01  0.246605D+01  0.225291D+01 -0.275550D+01  0.761278D+01
      3   0.153575D+01 -0.168798D+01 -0.150118D+01 -0.289771D-03  0.298951D+01
      4  -0.545390D+01  0.623147D+01  0.701010D+01 -0.504784D+01 -0.914034D+01
      5   0.141117D+02 -0.424017D+00 -0.539069D+01  0.307727D+01  0.160222D+02
      6   0.539847D+01 -0.159470D+01 -0.311092D+01  0.785173D+01  0.758439D+01
               206           207           208           209           210 
      1   0.612829D+01 -0.711603D+01  0.141949D+02  0.101332D+02  0.571895D+01
      2  -0.562914D+01 -0.828528D+01  0.229305D+01  0.801608D+01  0.676122D-01
      3  -0.499150D+00  0.154013D+02 -0.164879D+02 -0.181492D+02 -0.578657D+01
      4  -0.141647D+02  0.174089D+02  0.283105D+02  0.357446D+02  0.911285D+01
      5   0.151650D+02 -0.504350D+02  0.837544D+01  0.650569D+01  0.927285D+01
      6   0.129082D+02 -0.291174D+02  0.540696D+01  0.507447D+01  0.633797D+01
               211           212           213           214           215 
      1   0.864388D+01 -0.208328D+01 -0.887328D+00  0.100817D+02 -0.150552D+01
      2   0.925832D+01  0.315014D+02  0.807992D+01 -0.260368D+00  0.124218D+02
      3  -0.179022D+02 -0.294181D+02 -0.719259D+01 -0.982130D+01 -0.109162D+02
      4   0.351755D+02  0.574927D+02  0.158318D+02  0.172741D+02  0.287117D+02
      5   0.692120D+01  0.142262D+02  0.105525D+02  0.118255D+02  0.148660D+02
      6   0.586118D+01  0.126048D+02  0.101238D+02  0.792383D+01  0.128841D+02
               216           217           218           219           220 
      1   0.128535D+01  0.256710D+02  0.133362D+01 -0.187984D+02  0.406547D+01
      2   0.258612D+01 -0.153274D+02 -0.564960D+00  0.107510D+02 -0.181016D+01
      3  -0.387147D+01 -0.103436D+02 -0.768655D+00  0.804741D+01 -0.225531D+01
      4   0.168328D+02  0.209951D+01  0.825726D+01  0.374970D+00  0.151886D+02
      5   0.918472D+01 -0.196778D+02  0.721445D+00  0.237440D+02 -0.102261D+00
      6   0.820685D+01 -0.312498D+00  0.360237D+00  0.332750D+00 -0.108679D+01
               221           222           223           224           225 
      1   0.104741D+02  0.524422D+00 -0.490808D+02  0.184209D+01  0.299057D+02
      2  -0.534478D+01 -0.544297D+00  0.293927D+02 -0.154551D+01 -0.243683D+02
      3  -0.512929D+01  0.198746D-01  0.196881D+02 -0.296571D+00 -0.553735D+01
      4  -0.183558D+01 -0.485235D+01  0.149453D+00 -0.109298D+02  0.928121D+00
      5  -0.461909D+01  0.152360D+01  0.446764D+02 -0.650299D-01 -0.720727D+02
      6  -0.584642D+00  0.432423D+01  0.168465D+01  0.418914D+01 -0.207431D+01
               226           227           228           229           230 
      1   0.252756D+02 -0.199715D+02  0.985773D+01 -0.446987D+02  0.312922D+02
      2  -0.119382D+02  0.944405D+01 -0.522596D+01  0.216475D+02 -0.100111D+02
      3  -0.133373D+02  0.105274D+02 -0.463177D+01  0.230511D+02 -0.212810D+02
      4  -0.205437D+02  0.241082D+02 -0.677738D+01  0.429021D+02 -0.661488D+02
      5   0.114095D+02 -0.749853D+01  0.113930D+02 -0.144847D+02  0.240882D+02
      6  -0.241440D+01  0.187032D+01 -0.871346D+00  0.446810D+01 -0.684449D+01
               231           232           233           234           235 
      1  -0.893829D+01  0.207347D+02 -0.780117D+01  0.138466D+02  0.611347D+02
      2   0.532553D+01 -0.116182D+02  0.487002D+01 -0.973459D+01 -0.295928D+02
      3   0.361276D+01 -0.911647D+01  0.293116D+01 -0.411197D+01 -0.315420D+02
      4   0.226218D+02 -0.115125D+02  0.245735D+02 -0.143654D+02  0.337349D+02
      5  -0.190676D+02  0.214803D+02 -0.156016D+02  0.128919D+02  0.248817D+02
      6   0.569442D+01 -0.245043D+01  0.617071D+01 -0.413931D+01  0.520095D+01
               236           237           238           239           240 
      1   0.280430D+02  0.198500D+02  0.607141D+02  0.313390D+02  0.142770D+02
      2  -0.126881D+02 -0.105338D+02 -0.272786D+02 -0.959752D+01 -0.709708D+01
      3  -0.153548D+02 -0.931621D+01 -0.334355D+02 -0.217415D+02 -0.717995D+01
      4   0.280216D+02  0.123069D+02  0.476595D+02  0.420184D+02  0.218910D+02
      5   0.127733D+02  0.202326D+02  0.228626D+02  0.224656D+02  0.208831D+02
      6   0.297367D+01  0.277935D+01  0.704599D+01  0.691609D+01  0.631036D+01
               241           242           243           244           245 
      1   0.391621D+02  0.125857D+02  0.218809D+02  0.734715D+00  0.332354D+01
      2  -0.209892D+02 -0.620337D+01 -0.142401D+02 -0.422046D+01 -0.159752D+01
      3  -0.181729D+02 -0.638236D+01 -0.764076D+01  0.348574D+01 -0.172603D+01
      4   0.199429D+02  0.240139D+02  0.163440D+02  0.615117D+01  0.582743D+01
      5   0.340157D+02  0.168662D+02  0.206676D+02 -0.121739D+02 -0.153370D+01
      6   0.600228D+01  0.651189D+01  0.580344D+01 -0.376833D+01 -0.381922D+00
               246           247           248           249           250 
      1  -0.701994D+01  0.366655D+01  0.386009D+00  0.200817D+01 -0.855003D+01
      2   0.539315D+01 -0.161358D+01  0.189287D-01 -0.451754D+00  0.908334D+01
      3   0.162679D+01 -0.205298D+01 -0.404937D+00 -0.155642D+01 -0.533315D+00
      4  -0.253327D+01  0.997028D+01  0.472311D+01 -0.734652D+01 -0.482703D+01
      5   0.127778D+02 -0.212740D+01 -0.741345D+01  0.929304D+01  0.178831D+02
      6   0.231594D+01 -0.171705D+01 -0.383781D+01  0.741035D+01  0.349367D+01
               251           252           253           254           255 
      1   0.248309D+01 -0.547946D+01 -0.929383D+02 -0.154387D+02  0.821034D+01
      2   0.576674D+00 -0.134504D+02  0.464396D+02  0.178422D+02 -0.538909D+01
      3  -0.305976D+01  0.189299D+02  0.464987D+02 -0.240358D+01 -0.282125D+01
      4  -0.107534D+02  0.100879D+02 -0.234851D+02  0.271284D+02  0.963386D+01
      5   0.869840D+01 -0.423853D+02  0.109605D+02  0.613614D+01  0.111841D+02
      6   0.627503D+01 -0.123313D+02  0.918094D+01  0.419066D+01  0.441789D+01
               256           257           258           259           260 
      1   0.123225D+02  0.381351D+02  0.343566D+00  0.289905D+02  0.138893D+01
      2   0.235813D+01 -0.377262D+02  0.203052D+00 -0.100271D+02  0.472687D+01
      3  -0.146806D+02 -0.408871D+00 -0.546618D+00 -0.189634D+02 -0.611581D+01
      4   0.388862D+02 -0.148497D+02  0.122984D+02  0.234931D+02  0.220391D+02
      5   0.125096D+02  0.152727D+02  0.141431D+02  0.169202D+02  0.122304D+02
      6   0.831215D+01  0.545963D+01  0.781232D+01  0.914945D+01  0.773468D+01
               261           262           263           264           265 
      1   0.138305D+02  0.510096D+01 -0.805637D+01 -0.180422D+01 -0.385898D+01
      2   0.609246D+01  0.365324D+01 -0.334157D+01 -0.259920D+00 -0.982027D+01
      3  -0.199229D+02 -0.875421D+01  0.113979D+02  0.206414D+01  0.136793D+02
      4   0.158582D+02 -0.159030D+02  0.236722D+02  0.510942D+01  0.300482D+02
      5  -0.276902D+02 -0.563260D+01  0.647204D+01  0.432819D+01  0.784505D+01
      6  -0.873272D+01  0.390874D+01 -0.451712D+01 -0.179460D+01 -0.636178D+01
               266           267           268           269           270 
      1  -0.124285D+02 -0.360864D+01  0.736816D+00 -0.204040D+00 -0.177850D+01
      2   0.431648D+02  0.617127D+01  0.284832D+01 -0.796771D+01  0.192547D+01
      3  -0.307363D+02 -0.256263D+01 -0.358514D+01  0.817175D+01 -0.146976D+00
      4  -0.731233D+02 -0.148443D+02 -0.488450D+01  0.114927D+02 -0.405671D+01
      5  -0.172464D+02 -0.125262D+02  0.224801D+01 -0.385351D+01 -0.343433D+01
      6   0.193957D+02  0.954407D+01 -0.138713D+01  0.452575D+01  0.237863D+01
               271           272           273           274           275 
      1   0.136217D+03  0.158124D+02 -0.388184D+01 -0.273544D+01  0.717879D+01
      2  -0.628661D+02 -0.318394D+01  0.150340D+01  0.461905D+01  0.194007D-01
      3  -0.733509D+02 -0.126284D+02  0.237845D+01 -0.188362D+01 -0.719819D+01
      4   0.541576D+02  0.218638D+02  0.199561D+00  0.139996D+02  0.759489D+01
      5   0.481575D+01  0.154690D+01  0.132137D+02 -0.697564D+00 -0.165398D+01
      6  -0.506749D+00  0.146066D+01  0.421660D+01  0.102986D+00 -0.665844D-01
               276           277           278           279           280 
      1   0.135550D+00 -0.183501D+02 -0.204822D+01  0.984213D+01  0.713015D+00
      2  -0.284480D+00  0.766715D+01 -0.582488D+00 -0.686798D+01  0.297356D+01
      3   0.148930D+00  0.106829D+02  0.263071D+01 -0.297416D+01 -0.368658D+01
      4  -0.184082D+01 -0.921752D+01 -0.590399D+01  0.307256D+01  0.420893D+01
      5  -0.100705D+01  0.143704D+02  0.108486D+01 -0.340250D+00 -0.226951D+01
      6   0.188297D+00  0.401853D+01  0.980695D+00 -0.194489D+00 -0.968915D+00
               281           282           283           284           285 
      1   0.153788D+02 -0.114040D+01  0.114535D+02 -0.343137D+02 -0.211653D+00
      2  -0.164200D+02  0.883210D+00 -0.540053D+01  0.554075D+02 -0.845395D+00
      3   0.104115D+01  0.257185D+00 -0.605296D+01 -0.210938D+02  0.105705D+01
      4  -0.910972D+01 -0.215773D+01  0.856191D+01  0.523992D+02 -0.438770D+00
      5  -0.256683D+00 -0.273906D+01  0.142215D+01 -0.311688D+01  0.569556D+01
      6  -0.153326D+01 -0.238449D+01 -0.304804D+00  0.428438D+01  0.652519D+01
               286           287           288           289           290 
      1  -0.522295D+01  0.205677D+01 -0.579120D+01  0.717334D+01  0.157937D+01
      2   0.147717D+01 -0.569049D+01  0.460716D+01 -0.636716D+01 -0.213388D+01
      3   0.374578D+01  0.363373D+01  0.118404D+01 -0.806181D+00  0.554512D+00
      4  -0.438145D+01 -0.100734D+02  0.352218D+01  0.546992D+00 -0.277447D+01
      5   0.443656D+00  0.472933D+01  0.557591D+00  0.382127D+01 -0.126140D+01
      6  -0.489218D+00  0.690296D+01 -0.337016D+00  0.269145D+00 -0.140569D+01
               291           292           293           294           295 
      1   0.585275D+01 -0.531790D+01 -0.607496D+01 -0.649512D+00  0.112695D+02
      2  -0.243635D+01  0.212480D+01  0.362030D+01  0.312768D+01 -0.687025D+01
      3  -0.341640D+01  0.319310D+01  0.245466D+01 -0.247817D+01 -0.439922D+01
      4   0.156769D+00 -0.325422D+01 -0.206760D+01  0.234707D+01  0.663355D+01
      5   0.689100D+00 -0.244835D+01  0.211868D+01 -0.568277D+01  0.101489D+02
      6  -0.107374D+01 -0.798136D+00  0.323255D+00  0.148192D+01  0.211941D+01
               296           297 
      1  -0.109464D+01 -0.120910D+02
      2   0.347394D+01 -0.134834D+02
      3  -0.237931D+01  0.255744D+02
      4   0.101876D+02  0.637283D+00
      5   0.179122D+01  0.457222D+02
      6   0.464067D+01  0.181930D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.430043D+00      0.109306D+01      0.364606D+01
   y         -0.159800D+00     -0.406172D+00     -0.135484D+01
   z          0.536356D+00      0.136328D+01      0.454741D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.207844D+03      0.307992D+02      0.342688D+02
   yx        -0.140721D+01     -0.208527D+00     -0.232018D+00
   yy         0.130367D+03      0.193184D+02      0.214947D+02
   zx         0.209508D+01      0.310458D+00      0.345431D+00
   zy        -0.718914D+01     -0.106532D+01     -0.118533D+01
   zz         0.140807D+03      0.208655D+02      0.232160D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174252D+03      0.258215D+02      0.287303D+02
   aniso      0.833322D+02      0.123486D+02      0.137396D+02
   xx         0.228721D+03      0.338929D+02      0.377110D+02
   yx        -0.203772D+01     -0.301958D+00     -0.335974D+00
   yy         0.141927D+03      0.210314D+02      0.234006D+02
   zx         0.201196D+01      0.298141D+00      0.331727D+00
   zy        -0.745033D+01     -0.110403D+01     -0.122839D+01
   zz         0.152108D+03      0.225401D+02      0.250792D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.32021683         -0.96335226         -0.91259901
     6          2.33977432         -1.22295411          1.70887299
     6          0.07173694         -0.95437008         -2.26350032
     6         -2.23733456         -1.20512091         -1.02299306
     6         -2.23097746         -1.45983919          1.59553644
     6          0.02267332         -1.47599383          2.93744475
     6          4.76580916         -1.15621688          3.19054485
     6          5.23564299          1.36558847          4.57101207
     6          5.44216639          3.57451282          2.72452467
     6          7.59071658          1.17429369          6.23014667
     6         -4.70651516         -1.24967653         -2.49013009
     6         -4.93038723          1.17806930         -3.99714303
     8         -4.29500257          1.46233727         -6.16284614
     8         -5.89909388          3.07995506         -2.59094645
     1          4.09505832         -0.75829382         -1.91218383
     1          0.11156181         -0.73267518         -4.29708215
     1         -4.00774535         -1.65418122          2.59389264
     1         -0.02046544         -1.68915360          4.97402781
     1          6.36022973         -1.52569771          1.92737702
     1          4.75513293         -2.67594162          4.59135209
     1          3.60516653          1.70971496          5.80021212
     1          3.74018558          3.76844322          1.57967442
     1          7.04055122          3.30398605          1.44166296
     1          5.74021450          5.34941872          3.73292824
     1          9.26873737          0.81481035          5.07861312
     1          7.42535594         -0.36143208          7.59895365
     1          7.91078646          2.92552165          7.27291746
     1         -6.24672022         -1.25619038         -1.12039143
     6         -4.92017840         -3.55945481         -4.21532508
     1         -5.89098949          4.58128176         -3.64334716
     1         -6.73934865         -3.59089511         -5.18440968
     1         -4.73451622         -5.27962374         -3.09782075
     1         -3.44049678         -3.54032301         -5.64439735

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.705798D+00      0.179396D+01      0.598400D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.180979D+03      0.268183D+02      0.298394D+02
   yx         0.666441D+01      0.987564D+00      0.109881D+01
   yy         0.128078D+03      0.189792D+02      0.211172D+02
   zx         0.316571D+02      0.469109D+01      0.521955D+01
   zy         0.167349D+00      0.247985D-01      0.275921D-01
   zz         0.169962D+03      0.251857D+02      0.280229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174252D+03      0.258215D+02      0.287303D+02
   aniso      0.833322D+02      0.123486D+02      0.137396D+02
   xx         0.198270D+03      0.293806D+02      0.326903D+02
   yx         0.692857D+01      0.102671D+01      0.114237D+01
   yy         0.139468D+03      0.206671D+02      0.229952D+02
   zx         0.362685D+02      0.537444D+01      0.597988D+01
   zy         0.101869D-01      0.150954D-02      0.167959D-02
   zz         0.185018D+03      0.274168D+02      0.305053D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K07-34\Freq\RB3LYP\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.6346,-0.289354,-1.230513\C,1.477234,-0.735999,-0.213732
 \C,-0.739449,-0.216152,-1.047711\C,-1.314029,-0.589385,0.165609\C,-0.4
 77653,-1.033716,1.186048\C,0.895358,-1.109311,0.997103\C,2.970726,-0.7
 78602,-0.392123\C,3.71661,0.371103,0.313667\C,3.29911,1.735765,-0.2308
 08\C,5.226988,0.171727,0.198605\C,-2.81993,-0.538917,0.366414\C,-3.298
 609,0.879642,0.123443\O,-3.719796,1.31152,-0.918273\O,-3.170806,1.6481
 02,1.229132\H,1.061897,0.009379,-2.180173\H,-1.369308,0.143045,-1.8517
 68\H,-0.905706,-1.326876,2.137119\H,1.525155,-1.46462,1.804458\H,3.213
 87,-0.75095,-1.458443\H,3.35489,-1.727657,-0.007445\H,3.446407,0.33299
 9,1.374915\H,2.22736,1.901968,-0.119193\H,3.541664,1.81678,-1.29447\H,
 3.82232,2.539192,0.291263\H,5.541448,0.194608,-0.84858\H,5.535582,-0.7
 88131,0.618372\H,5.769492,0.959785,0.724559\H,-3.021671,-0.770261,1.41
 3061\C,-3.561205,-1.527762,-0.535197\H,-3.444471,2.545855,0.983186\H,-
 4.634564,-1.503266,-0.342117\H,-3.194719,-2.537711,-0.351766\H,-3.4033
 43,-1.285337,-1.584678\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.024
 3642\RMSD=2.560e-09\RMSF=3.648e-06\ZeroPoint=0.2841412\Thermal=0.29983
 04\Dipole=0.4300431,-0.1598002,0.5363558\DipoleDeriv=-0.1403361,-0.010
 7462,-0.0483694,0.0162924,-0.0902,-0.0699909,-0.0798891,-0.0520712,0.0
 663827,0.3449519,0.0510663,-0.0186241,0.0023672,-0.0852936,-0.0165524,
 -0.03983,-0.0185592,-0.0762985,-0.0841383,-0.0088268,0.0341279,-0.0188
 388,-0.090888,-0.0422746,0.0582161,-0.0431208,-0.0099287,0.3032713,-0.
 0982065,0.0058671,0.0186181,-0.1403773,-0.0030862,-0.0438412,0.011636,
 -0.0756175,-0.0723587,0.0166486,-0.0473511,0.0175594,-0.0941396,-0.055
 9843,-0.0140811,-0.0749259,0.0727434,-0.1346237,-0.0412817,0.0545134,-
 0.0554013,-0.0891584,-0.0470957,0.1232475,-0.0576332,0.0252577,0.00808
 99,-0.0236529,-0.0315702,-0.1229424,0.091504,-0.0215127,-0.134746,-0.0
 139227,0.1564686,0.1354249,0.0003922,0.0221045,0.1295869,0.1431598,-0.
 0202978,0.1086107,-0.0103166,0.0803734,-0.0008939,0.0469703,-0.0275065
 ,0.0088761,-0.0184206,0.038647,-0.0468765,0.0050138,0.1232118,-0.01186
 3,0.0109636,0.0050954,-0.0718291,0.0765419,-0.0004701,-0.052065,-0.002
 3549,0.1357092,-0.0346522,0.1704175,-0.0301967,0.1028631,-0.021373,0.0
 230906,-0.1209318,0.0385301,0.1120789,0.5069368,-0.281781,0.3006991,-0
 .6759336,1.2172876,0.2756757,0.3692323,0.2824346,1.4277115,-0.5473568,
 0.1215737,-0.2470869,0.3581073,-0.6944143,0.1967109,-0.3088443,-0.0010
 117,-0.8919306,-0.3784081,0.0219246,-0.0077039,0.1383506,-0.7399202,-0
 .546854,0.0430351,-0.4215556,-0.8822807,0.0177298,-0.0087939,0.077332,
 -0.0108896,0.0956333,0.0548853,0.081259,0.0526234,-0.0409007,0.0334542
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 0080,-0.00000038,0.00000090,-0.00000164,0.00000272,0.00000351,-0.00000
 384,0.00000184,0.00000139,0.00000102,0.00000282,-0.00000331,0.00000062
 ,-0.00000008,0.00000153,0.00000090,-0.00000257,0.00000192,-0.00000036,
 0.00000111,0.00000085,-0.00000216,0.00000052,0.00000139,-0.00000022,-0
 .00000001,0.00000080,0.00000159,-0.00000046,0.00000208,0.00000370,-0.0
 0000102,-0.00000207,0.00000114,0.00000481,0.00000471,0.00000007,0.0000
 0156,0.00000016,0.00000081,-0.00000007,-0.00000070,0.00000045,-0.00000
 046,-0.00000213,-0.00000015,-0.00000052,-0.00000152\\\@


      HUMANKIND PERIODICALLY GOES THROUGH A SPEEDUP OF ITS AFFAIRS, 
      THEREBY EXPERIENCING THE RACE BETWEEN THE RENEWABLE VITALITY
      OF THE LIVING, AND THE BECKONING VITIATION OF DECADENCE.
      IN THIS PERIODIC RACE, ANY PAUSE BECOMES A LUXURY.
      ONLY THEN CAN ONE REFLECT THAT ALL IS PERMITTED;
      ALL IS POSSIBLE.

                              -- THE APOCRYPHA OF MUAD'DIB
                                 CHILDREN OF DUNE, BY FRANK HERBERT
 Job cpu time:       1 days  4 hours 56 minutes 49.4 seconds.
 Elapsed time:       0 days  3 hours 47 minutes 56.8 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 13:28:16 2021.
